From owner-chemistry@ccl.net Fri Oct 31 13:19:01 2014 From: "Thomas Manz thomasamanz%%gmail.com" To: CCL Subject: CCL: use of research ideas without citation Message-Id: <-50672-141031070531-3746-bN8KhTcrkDmxcQivMBHkDw|-|server.ccl.net> X-Original-From: Thomas Manz Content-Type: multipart/alternative; boundary=001a11396e52df1cc40506b58d0f Date: Fri, 31 Oct 2014 04:35:22 -0600 MIME-Version: 1.0 Sent to CCL by: Thomas Manz [thomasamanz*o*gmail.com] --001a11396e52df1cc40506b58d0f Content-Type: text/plain; charset=UTF-8 Hi Josh, I agree that the first step should always be to contact the authors of the paper to see if this can resolve the issue. I had first emailed the authors in both cases. In the first case, none of the authors responded to my emails, except I received the following response from Juergen Hafner to my first email "I shall be out of email contact from Oct. 15 to Oct. 26, 2014." At the bottom this message stated: "This is an automatic reply generated by the Out of Office-Program at the University of Vienna. However, your e-mail will be delivered normally." Several days after my first email, I sent a second email to the authors, and never received any reply from any of the authors. In the second case, the authors responded to my emails, but they did not yet correct their ArXiv preprint, even though I requested them to correct it immediately and many days have passed since. Therefore, I think in both cases I've been completely fair to the authors. If it was an unintentional (albeit readily avoidable) oversight, the authors would have apologized and immediately corrected the mistake. Since they did not do this, I'm convinced the authors are being negligent. As a scientific community, it's important for us to police ourselves. When cases such as these arise, there need to be consequences to those who are not properly citing prior literature. These consequences need to include denying grant proposals from those who are negligent and awarding grant money to those who are honest and hardworking. If these individuals, who are being negligent, are awarded grant proposals, this would encourage more bad behavior. Therefore, I respectfully request my colleagues to award grant proposals to people who are honest, hardworking, and properly cite prior literature and decline grant proposals from those who are negligent and do not properly cite prior literature. Sincerely, Tom On Thu, Oct 30, 2014 at 9:15 PM, Adelman, Joshua Lev jla65(0)pitt.edu < owner-chemistry]^[ccl.net> wrote: > Hi Tom, > > Perhaps consider posting something at PubPeer (https://pubpeer.com/) > which centralizes discussions about specific papers and sends the authors a > notification so that they are aware of the discussion and can comment. > > Just my own 2 cents, while I appreciate your frustration, I would also > allow for the possibility of an genuine mistake. A diplomatic email to an > author suggesting that they might find a paper interesting and relevant to > their own research program might be better received than public shaming and > labeling people as dishonest. At least as a first approach, unless there is > a systematic pattern from a single group. But to each their own. > > Josh > > > > On October 30, 2014 at 10:56:24 PM, Thomas Manz thomasamanz||gmail.com ( > owner-chemistry]^[ccl.net) wrote: > > Dear Jozsef, > > A literature search is an integral part of scientific research. > > As far as I'm aware, all peer-review journals have ethical guidelines > that require authors to cite methods and ideas they use in their work that > were first developed by other people. Therefore, there is no such thing as > innocence if authors use an idea or method in their work without citation > that was first developed by other people and described in the peer-reviewed > literature. > > If authors are incapable of performing a search for relevant prior > literature, they should find an occupation besides scientific research. > > It's not fair to honest and hard-working people to have the system > burdened down by dishonest and/or incompetent people who don't properly > cite the prior literature. It's not fair to honest and hard-working people > to have grant money given to dishonest and/or incompetent people who don't > properly cite the prior literature. > > Sincerely, > > Tom > > On Thu, Oct 30, 2014 at 6:31 AM, Jozsef Csontos jcsontos.lists:+:gmail.com > wrote: > >> I don't think that this is the right (in every sense of the word) forum >> for your claims. What about the presumption of innocence and right of >> defense principle? >> >> The appropriate place for such claims should be the comment section of >> the corresponding journals where the authors listed are also able to >> response to your opinion. >> >> I hope no offense was given, >> >> Jozsef >> >> On 10/30/2014 03:40 AM, Thomas Manz tmanz~~nmsu.edu wrote: >> >> Dear Colleagues, >> >> I've had difficulties recently with some researchers using my research >> ideas in their publications without citing me. Given the very tight funding >> environment, this has become an especially serious problem, because the >> denial of credit for my work is impacting the funding I can receive to >> continue my research program. >> >> I would like to point out the following recent cases: >> >> 1) T. Bucko, S. Lebegue, J. G. Angyan, and J. Hafner, "Extending the >> applicability of the Tkatchenko-Scheffler dispersion correction via >> iterative Hirshfeld partitioning," J. Chem. Phys. 141 (2014) 034114. These >> researchers used an idea I was the first to propose and use. Specifically, >> I was the first to propose and use charge compensated reference atomic ions >> in stockholder-type charge partitioning methods such as Density Derived >> Electrostatic and Chemical (DDEC) and Iterative Hirshfeld charge >> partitioning (T. A. Manz and D. S. Sholl, "Chemically Meaningful Atomic >> Charges that Reproduce the Electrostatic Potential in Periodic and >> Nonperiodic Materials," J. Chem. Theory Comput. 6 (2010) 2455-2468.). Even >> though these researchers used this idea, which I was the first to develop >> and use, they did not cite any of my work in their journal article. >> >> 2) A. J. Misquitta, A. J. Stone, and Farhang Fazeli, "Distributed >> multipoles from a robust basis-space implementation of the iterated >> stockholder atoms procedure," ArXiv manuscript 1409.5875v1, 2014. These >> researchers used an idea I was the first to propose and use. Specifically, >> I was the first to propose and use a constraint that enforces exponential >> decay of atomic weighting factors for atom tails in stockholder-type charge >> partitioning methods such as Iterated Stockholder Atoms (ISA) and Density >> Derived Electrostatic and Chemical (DDEC) charge partitioning ((a) T. A. >> Manz and D. S. Sholl, "Methods for Computing Accurate Atomic Spin Moments >> for Collinear and Noncollinear Magnetism in Periodic and Nonperiodic >> Materials," J. Chem. Theory Comput. 7 (2011) 4146-4164, (b) T. A. Manz and >> D. S. Sholl, "Improved Atoms-in-Molecule Charge Partitioning Functional for >> Simultaneously Reproducing the Electrostatic Potential and Chemical States >> in Periodic and Nonperiodic Materials," J. Chem. Theory Comput. 8 (2012) >> 2844-2867). Even though these researchers used this idea, which I was the >> first to develop and use, they did not cite any of my work in their ArXiv >> manuscript. >> >> It is important that we as a scientific community reward those who are >> honest and punish those who are dishonest. >> >> Sincerely, >> >> Tom Manz >> assistant professor >> Chemical & Materials Engineering >> New Mexico State University >> >> >> > --001a11396e52df1cc40506b58d0f Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
Hi Josh,

I agree that the first step sh= ould always be to contact the authors of the paper to see if this can resol= ve the issue.

I had first emailed the authors in b= oth cases.

In the first case, none of the authors = responded to my emails, except I received the following response from=C2=A0= Juergen=C2=A0Hafner to = my first email "I shall be out of email contact from Oct. 15 to Oct. 26, 2014.= " At the bottom this message stated: "This is an automatic reply generate= d by the Out of Office-Program at the
University of Vienna. However, your e-ma= il will be delivered normally." Several days after my first email, I s= ent a second email to the authors, and never received any reply from any of= the authors.

=
In the second case, the authors respo= nded to my emails, but they did not yet correct their ArXiv preprint, even = though I requested them to correct it immediately and many days have passed= since.

=
Therefore, I think in both cases I= 9;ve been completely fair to the authors.

If = it was an unintentional (albeit readily avoidable) oversight, the authors w= ould have apologized and immediately corrected the mistake.

Since they did not do this, I'm convinced the authors ar= e being negligent.

As a scientific community,= it's important for us to police ourselves.
When cases such as these arise, there need to be con= sequences to those who are not properly citing prior literature.
These consequences need to include = denying grant proposals from those who are negligent and awarding grant mon= ey to those who are honest and hardworking.

If these individuals, who are being negligent, are awarded grant= proposals, this would encourage more bad behavior.

Therefore, I= respectfully request my colleagues to award grant proposals to people who = are honest, hardworking, and properly cite prior literature and decline gra= nt proposals from those who are negligent and do not properly cite prior li= terature.

Sincerely,

Tom



On Thu, Oct 30, 2014 at 9:15 PM, Ad= elman, Joshua Lev jla65(0)pit= t.edu <owner-chemistry]^[ccl.net> wrote:
Hi Tom,

Perhaps consider posting something at PubPeer (https://pubpeer.com/) which centralizes discussi= ons about specific papers and sends the authors a notification so that they= are aware of the discussion and can comment. =C2=A0

Just my own 2 cents, while I appreciate your frustration, I would also all= ow for the possibility of an genuine mistake. A diplomatic email to an author= suggesting that they might find a paper interesting and relevant to their = own research program might be better received than public shaming and label= ing people as dishonest. At least as a first approach, unless there is a systematic pattern from a single gr= oup. But to each their own.=C2=A0

Josh



On October 30, 2014 at 10:56:24 PM, Thomas Manz tho= masamanz||gmail.com (owner-chemistry]^[c= cl.net) wrote:

Dear Jozsef,

A literature search is an integral part of scientific research.

As far as I'm aware, all peer-review journals have ethical guideli= nes that require authors to cite methods and ideas they use in their work t= hat were first developed by other people. Therefore, there is no such thing= as innocence if authors use an idea or method in their work without citation that was first developed by other= people and described in the peer-reviewed literature.

If authors are incapable of performing a search for relevant prior lit= erature, they should find an occupation besides scientific research.

It's not fair to honest and hard-working people to have the system= burdened down by dishonest and/or incompetent people who don't properl= y cite the prior literature. It's not fair to honest and hard-working p= eople to have grant money given to dishonest and/or incompetent people who don't properly cite the prior literature= .

Sincerely,

Tom

On Thu, Oct 30, 2014 at 6:31 AM, Jozsef Csontos = jcsontos.lists:+:gmail.com <owner-chemistry()ccl.net> wrote:
I don't thi= nk that this is the right (in every sense of the word) forum for your claim= s. What about the presumption of innocence and right of defense principle?

The appropriate place for such claims should be the comment section of the = corresponding journals where the authors listed are also able to response t= o your opinion.

I hope no offense was given,

Jozsef
On 10/30/2014 03:40 AM, Thomas Manz tmanz~~nmsu.edu wrote:
Dear Colleagues,

I've had difficulties recently with some researchers using m= y research ideas in their publications without citing me. Given the very ti= ght funding environment, this has become an especially serious problem, bec= ause the denial of credit for my work is impacting the funding I can receive to continue my research pro= gram.

I would like to point out the following recent cases:

1) T. Bucko, S. Lebegue, J. G. Angyan, and J. Hafner, "Exte= nding the applicability of the Tkatchenko-Scheffler dispersion correction v= ia iterative Hirshfeld partitioning," J. Chem. Phys. 141 (2014) 034114= . These researchers used an idea I was the first to propose and use. Specifically, I was the first to propo= se and use charge compensated reference atomic ions in stockholder-type cha= rge partitioning methods such as Density Derived Electrostatic and Chemical= (DDEC) and Iterative Hirshfeld charge partitioning (T. A. Manz and D. S. Sholl, "Chemically Meaningf= ul Atomic Charges that Reproduce the Electrostatic Potential in Periodic an= d Nonperiodic Materials," J. Chem. Theory Comput. 6 (2010) 2455-2468.)= . Even though these researchers used this idea, which I was the first to develop and use, they did not cite any of m= y work in their journal article.

2)=C2=A0A. J. Misquitta, A. J. Stone, and Farhang Fazeli, "= Distributed multipoles from a robust basis-space implementation of the iter= ated stockholder atoms procedure,"=C2=A0ArXiv manuscript 1409.5875v1, 2014. These researchers used an idea I was the first to propo= se and use.=C2=A0Specifically, I was the first to propose and use a = constraint that enforces exponential decay of atomic weighting factors for = atom tails in stockholder-type charge partitioning methods such as Iterated Stockholder Atoms (ISA) and Density = Derived Electrostatic and Chemical (DDEC) charge partitioning=C2=A0((a) T. = A. Manz and D. S. Sholl, "Methods for Computing Accurate Atomic Spin M= oments for Collinear and Noncollinear Magnetism in Periodic and Nonperiodic Materials," J. Chem. Theory Comput. 7 (20= 11) 4146-4164, (b) T. A. Manz and D. S. Sholl, "Improved Atoms-in-Mole= cule Charge Partitioning Functional for Simultaneously Reproducing the Elec= trostatic Potential and Chemical States in Periodic and Nonperiodic Materials," J. Chem. Theory Comput. 8 (2012)= 2844-2867). Even though these researchers used this idea, which I was the = first to develop and use, they did not cite any of my work in their ArXiv m= anuscript.

It is important that we as a scientific community reward those who are= honest and punish those who are dishonest.

Sincerely,

Tom Manz
assistant professor
Chemical & Materials Engineering
New Mexico State University




--001a11396e52df1cc40506b58d0f-- From owner-chemistry@ccl.net Fri Oct 31 13:54:01 2014 From: "Radoslaw Kaminski rkaminski85]_[gmail.com" To: CCL Subject: CCL: use of research ideas without citation Message-Id: <-50673-141031082830-20268-vIWXtALq11HKvK9kGOehSg]_[server.ccl.net> X-Original-From: Radoslaw Kaminski Content-Type: multipart/alternative; boundary=001a11c2eca413808a0506b7224a Date: Fri, 31 Oct 2014 08:27:43 -0400 MIME-Version: 1.0 Sent to CCL by: Radoslaw Kaminski [rkaminski85.:.gmail.com] --001a11c2eca413808a0506b7224a Content-Type: text/plain; charset=UTF-8 I fully agree with the answers given in this topic. In case of many papers being published per day it is sometimes even impossible to get to know everything being published in the field... I agree with Josh that if it is not systematic or clearly done on purpose I would first contact the authors, suggesting that your paper might be also of interest to them. In my opinion the CCL is not a place for releasing all the frustration to the public. I should not even be writing this post, but since several such discussions went through a short comment seems to be necessary. Radek On 30 October 2014 23:15, Adelman, Joshua Lev jla65(0)pitt.edu < owner-chemistry{=}ccl.net> wrote: > Hi Tom, > > Perhaps consider posting something at PubPeer (https://pubpeer.com/) > which centralizes discussions about specific papers and sends the authors a > notification so that they are aware of the discussion and can comment. > > Just my own 2 cents, while I appreciate your frustration, I would also > allow for the possibility of an genuine mistake. A diplomatic email to an > author suggesting that they might find a paper interesting and relevant to > their own research program might be better received than public shaming and > labeling people as dishonest. At least as a first approach, unless there is > a systematic pattern from a single group. But to each their own. > > Josh > > > > On October 30, 2014 at 10:56:24 PM, Thomas Manz thomasamanz||gmail.com ( > owner-chemistry{=}ccl.net) wrote: > > Dear Jozsef, > > A literature search is an integral part of scientific research. > > As far as I'm aware, all peer-review journals have ethical guidelines > that require authors to cite methods and ideas they use in their work that > were first developed by other people. Therefore, there is no such thing as > innocence if authors use an idea or method in their work without citation > that was first developed by other people and described in the peer-reviewed > literature. > > If authors are incapable of performing a search for relevant prior > literature, they should find an occupation besides scientific research. > > It's not fair to honest and hard-working people to have the system > burdened down by dishonest and/or incompetent people who don't properly > cite the prior literature. It's not fair to honest and hard-working people > to have grant money given to dishonest and/or incompetent people who don't > properly cite the prior literature. > > Sincerely, > > Tom > > On Thu, Oct 30, 2014 at 6:31 AM, Jozsef Csontos jcsontos.lists:+:gmail.com > wrote: > >> I don't think that this is the right (in every sense of the word) forum >> for your claims. What about the presumption of innocence and right of >> defense principle? >> >> The appropriate place for such claims should be the comment section of >> the corresponding journals where the authors listed are also able to >> response to your opinion. >> >> I hope no offense was given, >> >> Jozsef >> >> On 10/30/2014 03:40 AM, Thomas Manz tmanz~~nmsu.edu wrote: >> >> Dear Colleagues, >> >> I've had difficulties recently with some researchers using my research >> ideas in their publications without citing me. Given the very tight funding >> environment, this has become an especially serious problem, because the >> denial of credit for my work is impacting the funding I can receive to >> continue my research program. >> >> I would like to point out the following recent cases: >> >> 1) T. Bucko, S. Lebegue, J. G. Angyan, and J. Hafner, "Extending the >> applicability of the Tkatchenko-Scheffler dispersion correction via >> iterative Hirshfeld partitioning," J. Chem. Phys. 141 (2014) 034114. These >> researchers used an idea I was the first to propose and use. Specifically, >> I was the first to propose and use charge compensated reference atomic ions >> in stockholder-type charge partitioning methods such as Density Derived >> Electrostatic and Chemical (DDEC) and Iterative Hirshfeld charge >> partitioning (T. A. Manz and D. S. Sholl, "Chemically Meaningful Atomic >> Charges that Reproduce the Electrostatic Potential in Periodic and >> Nonperiodic Materials," J. Chem. Theory Comput. 6 (2010) 2455-2468.). Even >> though these researchers used this idea, which I was the first to develop >> and use, they did not cite any of my work in their journal article. >> >> 2) A. J. Misquitta, A. J. Stone, and Farhang Fazeli, "Distributed >> multipoles from a robust basis-space implementation of the iterated >> stockholder atoms procedure," ArXiv manuscript 1409.5875v1, 2014. These >> researchers used an idea I was the first to propose and use. Specifically, >> I was the first to propose and use a constraint that enforces exponential >> decay of atomic weighting factors for atom tails in stockholder-type charge >> partitioning methods such as Iterated Stockholder Atoms (ISA) and Density >> Derived Electrostatic and Chemical (DDEC) charge partitioning ((a) T. A. >> Manz and D. S. Sholl, "Methods for Computing Accurate Atomic Spin Moments >> for Collinear and Noncollinear Magnetism in Periodic and Nonperiodic >> Materials," J. Chem. Theory Comput. 7 (2011) 4146-4164, (b) T. A. Manz and >> D. S. Sholl, "Improved Atoms-in-Molecule Charge Partitioning Functional for >> Simultaneously Reproducing the Electrostatic Potential and Chemical States >> in Periodic and Nonperiodic Materials," J. Chem. Theory Comput. 8 (2012) >> 2844-2867). Even though these researchers used this idea, which I was the >> first to develop and use, they did not cite any of my work in their ArXiv >> manuscript. >> >> It is important that we as a scientific community reward those who are >> honest and punish those who are dishonest. >> >> Sincerely, >> >> Tom Manz >> assistant professor >> Chemical & Materials Engineering >> New Mexico State University >> >> >> > -- ************************************* Radoslaw Kaminski, Ph.D. Eng. Postdoctoral Research Associate Department of Chemistry, University at Buffalo The State University of New York 747 Natural Sciences Complex Buffalo, New York 14260-3000, USA www.photocrystallography.eu ************************************* --001a11c2eca413808a0506b7224a Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
I fully agree with the answers given in this topic. In cas= e of many papers being published per day it is sometimes even impossible to= get to know everything being published in the field... I agree with Josh t= hat if it is not systematic or clearly done on purpose I would first contac= t the authors, suggesting that your paper might be also of interest to them= . In my opinion the CCL is not a place for releasing all the frustration to= the public. I should not even be writing this post, but since several such= discussions went through a short comment seems to be necessary.

Radek

On 30 October 2014 23:15, Adelman, Joshua Lev jla65(0)pitt.edu <owner-chemistry{=}ccl.net> wrote= :
Hi Tom,

Perhaps consider posting something at PubPeer (https://pubpeer.com/) which centralizes discussi= ons about specific papers and sends the authors a notification so that they= are aware of the discussion and can comment. =C2=A0

Just my own 2 cents, while I appreciate your frustration, I would also all= ow for the possibility of an genuine mistake. A diplomatic email to an author= suggesting that they might find a paper interesting and relevant to their = own research program might be better received than public shaming and label= ing people as dishonest. At least as a first approach, unless there is a systematic pattern from a single gr= oup. But to each their own.=C2=A0

Josh



On October 30, 2014 at 10:56:24 PM, Thomas Manz tho= masamanz||gmail.com (owner-chemistry{=}c= cl.net) wrote:

Dear Jozsef,

A literature search is an integral part of scientific research.

As far as I'm aware, all peer-review journals have ethical guideli= nes that require authors to cite methods and ideas they use in their work t= hat were first developed by other people. Therefore, there is no such thing= as innocence if authors use an idea or method in their work without citation that was first developed by other= people and described in the peer-reviewed literature.

If authors are incapable of performing a search for relevant prior lit= erature, they should find an occupation besides scientific research.

It's not fair to honest and hard-working people to have the system= burdened down by dishonest and/or incompetent people who don't properl= y cite the prior literature. It's not fair to honest and hard-working p= eople to have grant money given to dishonest and/or incompetent people who don't properly cite the prior literature= .

Sincerely,

Tom

On Thu, Oct 30, 2014 at 6:31 AM, Jozsef Csontos = jcsontos.lists:+:gmail.com <owner-chemistry()ccl.net> wrote:
I don't thi= nk that this is the right (in every sense of the word) forum for your claim= s. What about the presumption of innocence and right of defense principle?

The appropriate place for such claims should be the comment section of the = corresponding journals where the authors listed are also able to response t= o your opinion.

I hope no offense was given,

Jozsef
On 10/30/2014 03:40 AM, Thomas Manz tmanz~~nmsu.edu wrote:
Dear Colleagues,

I've had difficulties recently with some researchers using m= y research ideas in their publications without citing me. Given the very ti= ght funding environment, this has become an especially serious problem, bec= ause the denial of credit for my work is impacting the funding I can receive to continue my research pro= gram.

I would like to point out the following recent cases:

1) T. Bucko, S. Lebegue, J. G. Angyan, and J. Hafner, "Exte= nding the applicability of the Tkatchenko-Scheffler dispersion correction v= ia iterative Hirshfeld partitioning," J. Chem. Phys. 141 (2014) 034114= . These researchers used an idea I was the first to propose and use. Specifically, I was the first to propo= se and use charge compensated reference atomic ions in stockholder-type cha= rge partitioning methods such as Density Derived Electrostatic and Chemical= (DDEC) and Iterative Hirshfeld charge partitioning (T. A. Manz and D. S. Sholl, "Chemically Meaningf= ul Atomic Charges that Reproduce the Electrostatic Potential in Periodic an= d Nonperiodic Materials," J. Chem. Theory Comput. 6 (2010) 2455-2468.)= . Even though these researchers used this idea, which I was the first to develop and use, they did not cite any of m= y work in their journal article.

2)=C2=A0A. J. Misquitta, A. J. Stone, and Farhang Fazeli, "= Distributed multipoles from a robust basis-space implementation of the iter= ated stockholder atoms procedure,"=C2=A0ArXiv manuscript 1409.5875v1, 2014. These researchers used an idea I was the first to propo= se and use.=C2=A0Specifically, I was the first to propose and use a = constraint that enforces exponential decay of atomic weighting factors for = atom tails in stockholder-type charge partitioning methods such as Iterated Stockholder Atoms (ISA) and Density = Derived Electrostatic and Chemical (DDEC) charge partitioning=C2=A0((a) T. = A. Manz and D. S. Sholl, "Methods for Computing Accurate Atomic Spin M= oments for Collinear and Noncollinear Magnetism in Periodic and Nonperiodic Materials," J. Chem. Theory Comput. 7 (20= 11) 4146-4164, (b) T. A. Manz and D. S. Sholl, "Improved Atoms-in-Mole= cule Charge Partitioning Functional for Simultaneously Reproducing the Elec= trostatic Potential and Chemical States in Periodic and Nonperiodic Materials," J. Chem. Theory Comput. 8 (2012)= 2844-2867). Even though these researchers used this idea, which I was the = first to develop and use, they did not cite any of my work in their ArXiv m= anuscript.

It is important that we as a scientific community reward those who are= honest and punish those who are dishonest.

Sincerely,

Tom Manz
assistant professor
Chemical & Materials Engineering
New Mexico State University






--
********************************= *****
Radoslaw Kaminski, Ph.D. Eng.
Postdoctoral Resear= ch Associate
Department of Chemistry, University at Buffalo
=
The State University of New York
747 Natural Sciences Comple= x=C2=A0
Buffalo, New York 14260-3000, USA
*************************************
--001a11c2eca413808a0506b7224a-- From owner-chemistry@ccl.net Fri Oct 31 14:29:01 2014 From: "Jim Kress ccl_nospam---kressworks.com" To: CCL Subject: CCL: use of research ideas without citation Message-Id: <-50674-141031115343-13000-Fh1CSICbuv18jae4Qr3/8A _ server.ccl.net> X-Original-From: "Jim Kress" Content-Language: en-us Content-Type: multipart/alternative; boundary="----=_NextPart_000_0022_01CFF501.53D8E710" Date: Fri, 31 Oct 2014 11:53:31 -0400 MIME-Version: 1.0 Sent to CCL by: "Jim Kress" [ccl_nospam:_:kressworks.com] This is a multipart message in MIME format. ------=_NextPart_000_0022_01CFF501.53D8E710 Content-Type: text/plain; charset="utf-8" Content-Transfer-Encoding: quoted-printable Tom, =20 I sympathize with your situation. However, I believe, in 99% of the = cases, the authors have tried to be diligent in performing a literature = search. =20 The problem with literature searching, in today=E2=80=99s environment, = is the exponentially increasing proliferation of = =E2=80=9Cjournals=E2=80=9D that are produced by an increasing number of = organizations in more and more countries. It used to be that a = literature search only required looking at a few dozen key journals and = publications to extract the information one required and define the = necessary attribution. =20 Unfortunately, organizations now view =E2=80=9Cjournals=E2=80=9D as cash = cows and are spinning off more and more =E2=80=9Cjournals=E2=80=9D, = along with subdividing existing =E2=80=9Cjournals=E2=80=9D into new = collections of =E2=80=9Cjournals=E2=80=9D which are then subdivided = again =E2=80=93 like a cancer. That results in a literature search over = multiple terabytes of data that must be examined in detail. =20 That in itself is a manifestation of another facet of the exploding = problem called =E2=80=9CBig Data=E2=80=9D and is also a manifestation of = the greed factor that is driving the publication industry. =20 We need to stop the exponentially increasing proliferation of = =E2=80=9Cjournals=E2=80=9D that are more and more microscopically = focused on infinitesimal sub-sub-sub-sub-segments of a given discipline = and we need to develop better tools for people to use to search the soon = to be petabytes (and beyond) of literature that requires searching. =20 Jim =20 > From: owner-chemistry+jimkress35=3D=3Dgmail.com-$-ccl.net = [mailto:owner-chemistry+jimkress35=3D=3Dgmail.com-$-ccl.net] On Behalf Of = Thomas Manz thomasamanz||gmail.com Sent: Thursday, October 30, 2014 8:03 PM To: Kress, Jim Subject: CCL: use of research ideas without citation =20 Dear Jozsef, =20 A literature search is an integral part of scientific research. =20 As far as I'm aware, all peer-review journals have ethical guidelines = that require authors to cite methods and ideas they use in their work = that were first developed by other people. Therefore, there is no such = thing as innocence if authors use an idea or method in their work = without citation that was first developed by other people and described = in the peer-reviewed literature. =20 If authors are incapable of performing a search for relevant prior = literature, they should find an occupation besides scientific research. =20 It's not fair to honest and hard-working people to have the system = burdened down by dishonest and/or incompetent people who don't properly = cite the prior literature. It's not fair to honest and hard-working = people to have grant money given to dishonest and/or incompetent people = who don't properly cite the prior literature. =20 Sincerely, =20 Tom =20 On Thu, Oct 30, 2014 at 6:31 AM, Jozsef Csontos = jcsontos.lists:+:gmail.com > wrote: I don't think that this is the right (in every sense of the word) forum = for your claims. What about the presumption of innocence and right of = defense principle? The appropriate place for such claims should be the comment section of = the corresponding journals where the authors listed are also able to = response to your opinion. I hope no offense was given, Jozsef On 10/30/2014 03:40 AM, Thomas Manz tmanz~~nmsu.edu = wrote: Dear Colleagues,=20 =20 I've had difficulties recently with some researchers using my research = ideas in their publications without citing me. Given the very tight = funding environment, this has become an especially serious problem, = because the denial of credit for my work is impacting the funding I can = receive to continue my research program. =20 I would like to point out the following recent cases: =20 1) T. Bucko, S. Lebegue, J. G. Angyan, and J. Hafner, "Extending the = applicability of the Tkatchenko-Scheffler dispersion correction via = iterative Hirshfeld partitioning," J. Chem. Phys. 141 (2014) 034114. = These researchers used an idea I was the first to propose and use. = Specifically, I was the first to propose and use charge compensated = reference atomic ions in stockholder-type charge partitioning methods = such as Density Derived Electrostatic and Chemical (DDEC) and Iterative = Hirshfeld charge partitioning (T. A. Manz and D. S. Sholl, "Chemically = Meaningful Atomic Charges that Reproduce the Electrostatic Potential in = Periodic and Nonperiodic Materials," J. Chem. Theory Comput. 6 (2010) = 2455-2468.). Even though these researchers used this idea, which I was = the first to develop and use, they did not cite any of my work in their = journal article. =20 2) A. J. Misquitta, A. J. Stone, and Farhang Fazeli, "Distributed = multipoles from a robust basis-space implementation of the iterated = stockholder atoms procedure," ArXiv manuscript 1409.5875v1, 2014. These = researchers used an idea I was the first to propose and use. = Specifically, I was the first to propose and use a constraint that = enforces exponential decay of atomic weighting factors for atom tails in = stockholder-type charge partitioning methods such as Iterated = Stockholder Atoms (ISA) and Density Derived Electrostatic and Chemical = (DDEC) charge partitioning ((a) T. A. Manz and D. S. Sholl, "Methods for = Computing Accurate Atomic Spin Moments for Collinear and Noncollinear = Magnetism in Periodic and Nonperiodic Materials," J. Chem. Theory = Comput. 7 (2011) 4146-4164, (b) T. A. Manz and D. S. Sholl, "Improved = Atoms-in-Molecule Charge Partitioning Functional for Simultaneously = Reproducing the Electrostatic Potential and Chemical States in Periodic = and Nonperiodic Materials," J. Chem. Theory Comput. 8 (2012) 2844-2867). = Even though these researchers used this idea, which I was the first to = develop and use, they did not cite any of my work in their ArXiv = manuscript. =20 It is important that we as a scientific community reward those who are = honest and punish those who are dishonest. =20 Sincerely, =20 Tom Manz assistant professor Chemical & Materials Engineering New Mexico State University =20 =20 =20 ------=_NextPart_000_0022_01CFF501.53D8E710 Content-Type: text/html; charset="utf-8" Content-Transfer-Encoding: quoted-printable

Tom,

 

I sympathize with your situation.=C2=A0 However, I believe, in 99% of = the cases, the authors have tried to be diligent in performing a = literature search.

 

The problem with literature searching, in today=E2=80=99s environment, = is the exponentially increasing proliferation of = =E2=80=9Cjournals=E2=80=9D that are produced by an increasing number of = organizations in more and more countries.=C2=A0 It used to be that a = literature search only required looking at a few dozen key journals and = publications to extract the information one required and define the = necessary attribution.

 

Unfortunately, organizations now view =E2=80=9Cjournals=E2=80=9D as = cash cows and are spinning off more and more =E2=80=9Cjournals=E2=80=9D, = along with subdividing existing =E2=80=9Cjournals=E2=80=9D into new = collections of =E2=80=9Cjournals=E2=80=9D which are then subdivided = again =E2=80=93 like a cancer.=C2=A0 That results in a literature search = over multiple terabytes of data that must be examined in = detail.

 

That in itself is a manifestation of another facet of the exploding = problem called =E2=80=9CBig Data=E2=80=9D and is also a manifestation of = the greed factor that is driving the publication = industry.

 

We need to stop the exponentially increasing proliferation of = =E2=80=9Cjournals=E2=80=9D that are more and more microscopically = focused on infinitesimal sub-sub-sub-sub-segments of a given discipline = and we need to develop better tools for people to use to search the soon = to be petabytes (and beyond) of literature that requires = searching.

 

Jim

 

From:<= /b> = owner-chemistry+jimkress35=3D=3Dgmail.com-$-ccl.net = [mailto:owner-chemistry+jimkress35=3D=3Dgmail.com-$-ccl.net] On Behalf = Of Thomas Manz thomasamanz||gmail.com
Sent: Thursday, = October 30, 2014 8:03 PM
To: Kress, Jim =
Subject: CCL: use of research ideas without = citation

 

Dear = Jozsef,

 

A = literature search is an integral part of scientific = research.

 

As far as I'm aware, all peer-review journals have = ethical guidelines that require authors to cite methods and ideas they = use in their work that were first developed by other people. Therefore, = there is no such thing as innocence if authors use an idea or method in = their work without citation that was first developed by other people and = described in the peer-reviewed literature.

 

If authors are incapable of performing a search for = relevant prior literature, they should find an occupation besides = scientific research.

 

It's not fair to honest and hard-working people to = have the system burdened down by dishonest and/or incompetent people who = don't properly cite the prior literature. It's not fair to honest and = hard-working people to have grant money given to dishonest and/or = incompetent people who don't properly cite the prior = literature.

 

Sincerely,

 

Tom

 

On Thu, = Oct 30, 2014 at 6:31 AM, Jozsef Csontos jcsontos.lists:+:gmail.com <owner-chemistry()ccl.net> = wrote:

I don't = think that this is the right (in every sense of the word) forum for your = claims. What about the presumption of innocence and right of defense = principle?

The appropriate place for such claims should be the = comment section of the corresponding journals where the authors listed = are also able to response to your opinion.

I hope no offense was given,

Jozsef

On 10/30/2014 03:40 AM, Thomas Manz tmanz~~nmsu.edu = wrote:

Dear Colleagues,

 

I've had difficulties recently with some researchers = using my research ideas in their publications without citing me. Given = the very tight funding environment, this has become an especially = serious problem, because the denial of credit for my work is impacting = the funding I can receive to continue my research = program.

 

I = would like to point out the following recent = cases:

 

1) T. Bucko, S. Lebegue, J. G. Angyan, and J. Hafner, = "Extending the applicability of the Tkatchenko-Scheffler dispersion = correction via iterative Hirshfeld partitioning," J. Chem. Phys. = 141 (2014) 034114. These researchers used an idea I was the first to = propose and use. Specifically, I was the first to propose and use charge = compensated reference atomic ions in stockholder-type charge = partitioning methods such as Density Derived Electrostatic and Chemical = (DDEC) and Iterative Hirshfeld charge partitioning (T. A. Manz and D. S. = Sholl, "Chemically Meaningful Atomic Charges that Reproduce the = Electrostatic Potential in Periodic and Nonperiodic Materials," J. = Chem. Theory Comput. 6 (2010) 2455-2468.). Even though these researchers = used this idea, which I was the first to develop and use, they did not = cite any of my work in their journal = article.

 

2) A. J. Misquitta, A. J. Stone, and Farhang = Fazeli, "Distributed multipoles from a robust basis-space = implementation of the iterated stockholder atoms = procedure," ArXiv = manuscript 1409.5875v1, 2014. These researchers used an idea I was the = first to propose and use. Specifically, I was the first to = propose and use a constraint that enforces exponential decay of atomic = weighting factors for atom tails in stockholder-type charge partitioning = methods such as Iterated Stockholder Atoms (ISA) and Density Derived = Electrostatic and Chemical (DDEC) charge partitioning ((a) T. A. = Manz and D. S. Sholl, "Methods for Computing Accurate Atomic Spin = Moments for Collinear and Noncollinear Magnetism in Periodic and = Nonperiodic Materials," J. Chem. Theory Comput. 7 (2011) 4146-4164, = (b) T. A. Manz and D. S. Sholl, "Improved Atoms-in-Molecule Charge = Partitioning Functional for Simultaneously Reproducing the Electrostatic = Potential and Chemical States in Periodic and Nonperiodic = Materials," J. Chem. Theory Comput. 8 (2012) 2844-2867). Even = though these researchers used this idea, which I was the first to = develop and use, they did not cite any of my work in their ArXiv = manuscript.

 

It is important that we as a scientific community = reward those who are honest and punish those who are = dishonest.

 

Sincerely,

 

Tom Manz

assistant professor

Chemical & Materials = Engineering

New Mexico = State University

 

 

 

------=_NextPart_000_0022_01CFF501.53D8E710-- From owner-chemistry@ccl.net Fri Oct 31 15:04:01 2014 From: "Igors Mihailovs igors.mihailovs0]|[gmail.com" To: CCL Subject: CCL: use of research ideas without citation Message-Id: <-50675-141031120245-13965-jlxpyt9Y/CgpJL3xeq66Pw/./server.ccl.net> X-Original-From: Igors Mihailovs Content-Type: multipart/alternative; boundary=001a1140fbb226577a0506ba2071 Date: Fri, 31 Oct 2014 18:02:16 +0200 MIME-Version: 1.0 Sent to CCL by: Igors Mihailovs [igors.mihailovs0:+:gmail.com] --001a1140fbb226577a0506ba2071 Content-Type: text/plain; charset=UTF-8 Dear Mr. Manz, While understanding Your frustration, I wanted to point also to the fact that not every scientific institution (especially not in the 'rich West') is subscribed to all scientific databases relevant to their research. For example, ACS subscription seems to be quite costly. It happens to be quite hard sometimes to get 'real' articles when analyzing literature; I say this as working in Eastern Europe, so reporting my own experience. So it would be nothing weird if somebody who has been unaware of Your research used Your ideas by 'inventing' them once more, or citing some another article that had cited Yours one, or so. With best regards, Igors Mihailovs 2014-10-31 5:15 GMT+02:00 Adelman, Joshua Lev jla65(0)pitt.edu < owner-chemistry ~ ccl.net>: > Hi Tom, > > Perhaps consider posting something at PubPeer (https://pubpeer.com/) > which centralizes discussions about specific papers and sends the authors a > notification so that they are aware of the discussion and can comment. > > Just my own 2 cents, while I appreciate your frustration, I would also > allow for the possibility of an genuine mistake. A diplomatic email to an > author suggesting that they might find a paper interesting and relevant to > their own research program might be better received than public shaming and > labeling people as dishonest. At least as a first approach, unless there is > a systematic pattern from a single group. But to each their own. > > Josh > > > > On October 30, 2014 at 10:56:24 PM, Thomas Manz thomasamanz||gmail.com ( > owner-chemistry ~ ccl.net) wrote: > > Dear Jozsef, > > A literature search is an integral part of scientific research. > > As far as I'm aware, all peer-review journals have ethical guidelines > that require authors to cite methods and ideas they use in their work that > were first developed by other people. Therefore, there is no such thing as > innocence if authors use an idea or method in their work without citation > that was first developed by other people and described in the peer-reviewed > literature. > > If authors are incapable of performing a search for relevant prior > literature, they should find an occupation besides scientific research. > > It's not fair to honest and hard-working people to have the system > burdened down by dishonest and/or incompetent people who don't properly > cite the prior literature. It's not fair to honest and hard-working people > to have grant money given to dishonest and/or incompetent people who don't > properly cite the prior literature. > > Sincerely, > > Tom > > On Thu, Oct 30, 2014 at 6:31 AM, Jozsef Csontos jcsontos.lists:+:gmail.com > wrote: > >> I don't think that this is the right (in every sense of the word) forum >> for your claims. What about the presumption of innocence and right of >> defense principle? >> >> The appropriate place for such claims should be the comment section of >> the corresponding journals where the authors listed are also able to >> response to your opinion. >> >> I hope no offense was given, >> >> Jozsef >> >> On 10/30/2014 03:40 AM, Thomas Manz tmanz~~nmsu.edu wrote: >> >> Dear Colleagues, >> >> I've had difficulties recently with some researchers using my research >> ideas in their publications without citing me. Given the very tight funding >> environment, this has become an especially serious problem, because the >> denial of credit for my work is impacting the funding I can receive to >> continue my research program. >> >> I would like to point out the following recent cases: >> >> 1) T. Bucko, S. Lebegue, J. G. Angyan, and J. Hafner, "Extending the >> applicability of the Tkatchenko-Scheffler dispersion correction via >> iterative Hirshfeld partitioning," J. Chem. Phys. 141 (2014) 034114. These >> researchers used an idea I was the first to propose and use. Specifically, >> I was the first to propose and use charge compensated reference atomic ions >> in stockholder-type charge partitioning methods such as Density Derived >> Electrostatic and Chemical (DDEC) and Iterative Hirshfeld charge >> partitioning (T. A. Manz and D. S. Sholl, "Chemically Meaningful Atomic >> Charges that Reproduce the Electrostatic Potential in Periodic and >> Nonperiodic Materials," J. Chem. Theory Comput. 6 (2010) 2455-2468.). Even >> though these researchers used this idea, which I was the first to develop >> and use, they did not cite any of my work in their journal article. >> >> 2) A. J. Misquitta, A. J. Stone, and Farhang Fazeli, "Distributed >> multipoles from a robust basis-space implementation of the iterated >> stockholder atoms procedure," ArXiv manuscript 1409.5875v1, 2014. These >> researchers used an idea I was the first to propose and use. Specifically, >> I was the first to propose and use a constraint that enforces exponential >> decay of atomic weighting factors for atom tails in stockholder-type charge >> partitioning methods such as Iterated Stockholder Atoms (ISA) and Density >> Derived Electrostatic and Chemical (DDEC) charge partitioning ((a) T. A. >> Manz and D. S. Sholl, "Methods for Computing Accurate Atomic Spin Moments >> for Collinear and Noncollinear Magnetism in Periodic and Nonperiodic >> Materials," J. Chem. Theory Comput. 7 (2011) 4146-4164, (b) T. A. Manz and >> D. S. Sholl, "Improved Atoms-in-Molecule Charge Partitioning Functional for >> Simultaneously Reproducing the Electrostatic Potential and Chemical States >> in Periodic and Nonperiodic Materials," J. Chem. Theory Comput. 8 (2012) >> 2844-2867). Even though these researchers used this idea, which I was the >> first to develop and use, they did not cite any of my work in their ArXiv >> manuscript. >> >> It is important that we as a scientific community reward those who are >> honest and punish those who are dishonest. >> >> Sincerely, >> >> Tom Manz >> assistant professor >> Chemical & Materials Engineering >> New Mexico State University >> >> >> > --001a1140fbb226577a0506ba2071 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
Dear Mr. Manz,

While understanding Your = frustration, I wanted to point also to the fact that not every scientific i= nstitution (especially not in the 'rich West') is subscribed to all= scientific databases relevant to their research. For example, ACS subscrip= tion seems to be quite costly. It happens to be quite hard sometimes to get= 'real' articles when analyzing literature; I say this as working i= n Eastern Europe, so reporting my own experience. So it would be nothing we= ird if somebody who has been unaware of Your research used Your ideas by &#= 39;inventing' them once more, or citing some another article that had c= ited Yours one, or so.

With best regards,
Igors Mihailovs

2014-10-31 5:15 GMT+02:00 Adelman, Joshua Le= v jla65(0)pitt.edu <owner-chemistry ~ = ccl.net>:
Hi Tom,

Perhaps consider posting something at PubPeer (https://pubpeer.com/) which centralizes discussi= ons about specific papers and sends the authors a notification so that they= are aware of the discussion and can comment. =C2=A0

Just my own 2 cents, while I appreciate your frustration, I would also all= ow for the possibility of an genuine mistake. A diplomatic email to an author= suggesting that they might find a paper interesting and relevant to their = own research program might be better received than public shaming and label= ing people as dishonest. At least as a first approach, unless there is a systematic pattern from a single gr= oup. But to each their own.=C2=A0

Josh



On October 30, 2014 at 10:56:24 PM, Thomas Manz tho= masamanz||gmail.com (owner-chemistry ~ c= cl.net) wrote:

Dear Jozsef,

A literature search is an integral part of scientific research.

As far as I'm aware, all peer-review journals have ethical guideli= nes that require authors to cite methods and ideas they use in their work t= hat were first developed by other people. Therefore, there is no such thing= as innocence if authors use an idea or method in their work without citation that was first developed by other= people and described in the peer-reviewed literature.

If authors are incapable of performing a search for relevant prior lit= erature, they should find an occupation besides scientific research.

It's not fair to honest and hard-working people to have the system= burdened down by dishonest and/or incompetent people who don't properl= y cite the prior literature. It's not fair to honest and hard-working p= eople to have grant money given to dishonest and/or incompetent people who don't properly cite the prior literature= .

Sincerely,

Tom

On Thu, Oct 30, 2014 at 6:31 AM, Jozsef Csontos = jcsontos.lists:+:gmail.com <owner-chemistry()ccl.net> wrote:
I don't thi= nk that this is the right (in every sense of the word) forum for your claim= s. What about the presumption of innocence and right of defense principle?

The appropriate place for such claims should be the comment section of the = corresponding journals where the authors listed are also able to response t= o your opinion.

I hope no offense was given,

Jozsef
On 10/30/2014 03:40 AM, Thomas Manz tmanz~~nmsu.edu wrote:
Dear Colleagues,

I've had difficulties recently with some researchers using m= y research ideas in their publications without citing me. Given the very ti= ght funding environment, this has become an especially serious problem, bec= ause the denial of credit for my work is impacting the funding I can receive to continue my research pro= gram.

I would like to point out the following recent cases:

1) T. Bucko, S. Lebegue, J. G. Angyan, and J. Hafner, "Exte= nding the applicability of the Tkatchenko-Scheffler dispersion correction v= ia iterative Hirshfeld partitioning," J. Chem. Phys. 141 (2014) 034114= . These researchers used an idea I was the first to propose and use. Specifically, I was the first to propo= se and use charge compensated reference atomic ions in stockholder-type cha= rge partitioning methods such as Density Derived Electrostatic and Chemical= (DDEC) and Iterative Hirshfeld charge partitioning (T. A. Manz and D. S. Sholl, "Chemically Meaningf= ul Atomic Charges that Reproduce the Electrostatic Potential in Periodic an= d Nonperiodic Materials," J. Chem. Theory Comput. 6 (2010) 2455-2468.)= . Even though these researchers used this idea, which I was the first to develop and use, they did not cite any of m= y work in their journal article.

2)=C2=A0A. J. Misquitta, A. J. Stone, and Farhang Fazeli, "= Distributed multipoles from a robust basis-space implementation of the iter= ated stockholder atoms procedure,"=C2=A0ArXiv manuscript 1409.5875v1, 2014. These researchers used an idea I was the first to propo= se and use.=C2=A0Specifically, I was the first to propose and use a = constraint that enforces exponential decay of atomic weighting factors for = atom tails in stockholder-type charge partitioning methods such as Iterated Stockholder Atoms (ISA) and Density = Derived Electrostatic and Chemical (DDEC) charge partitioning=C2=A0((a) T. = A. Manz and D. S. Sholl, "Methods for Computing Accurate Atomic Spin M= oments for Collinear and Noncollinear Magnetism in Periodic and Nonperiodic Materials," J. Chem. Theory Comput. 7 (20= 11) 4146-4164, (b) T. A. Manz and D. S. Sholl, "Improved Atoms-in-Mole= cule Charge Partitioning Functional for Simultaneously Reproducing the Elec= trostatic Potential and Chemical States in Periodic and Nonperiodic Materials," J. Chem. Theory Comput. 8 (2012)= 2844-2867). Even though these researchers used this idea, which I was the = first to develop and use, they did not cite any of my work in their ArXiv m= anuscript.

It is important that we as a scientific community reward those who are= honest and punish those who are dishonest.

Sincerely,

Tom Manz
assistant professor
Chemical & Materials Engineering
New Mexico State University




--001a1140fbb226577a0506ba2071-- From owner-chemistry@ccl.net Fri Oct 31 15:39:01 2014 From: "Jeff Rawson jeff.rawson^_^duke.edu" To: CCL Subject: CCL: use of research ideas without citation Message-Id: <-50676-141031122555-5333-9Z4XJz+NHVX6rQuq/JIHiw*o*server.ccl.net> X-Original-From: Jeff Rawson Content-Language: en-US Content-Type: multipart/alternative; boundary="_000_F0485CF53372470A82892606CAF1A257dukeedu_" Date: Fri, 31 Oct 2014 16:25:45 +0000 MIME-Version: 1.0 Sent to CCL by: Jeff Rawson [jeff.rawson:-:duke.edu] --_000_F0485CF53372470A82892606CAF1A257dukeedu_ Content-Type: text/plain; charset="Windows-1252" Content-Transfer-Encoding: quoted-printable Dear Thom, I can tell you from my personal experience that focusing on the external = factors holding you back is not helpful. These thoughts aren=92t helping y= our research, and these posts to CCL aren=92t enhancing your reputation. I= s it fair to label someone as dishonest or incompetent based upon one overs= ight? Is that a standard any of us would enjoy having applied to us? Even= if you=92re right, are the CCL recipients empowered to enforce the justice= you seek? My advice mirrors that of others who have posted here. You are quite cap= able with words, so compose a message to these authors that brings your wor= k to their attention. Because you are an originator of these important ide= as, it is likely that the recipients of your message will view you with res= pect. If you can manage to convey to them both your appreciation for their= contributions, and your desire that they be aware of yours, you may be abl= e to achieve a win/win outcome. You will gain the recognition you desire, = and they will be honored by your interest. You might even look rather clev= er, because you discovered them. You don=92t know me, so I can understand that my advice might not seem va= luable to you. Consider asking Prof. Scholl what he thinks you should do. = Because he is a corresponding author on your works, he probably deserves c= onsultation before you take action. Peace, Jeff Rawson Michael Therien Group Duke University FFSC Rm 5324C 124 Science Drive Durham, NC 27708 On Oct 30, 2014, at 8:02 PM, Thomas Manz thomasamanz||gmail.com > wrote: Dear Jozsef, A literature search is an integral part of scientific research. As far as I'm aware, all peer-review journals have ethical guidelines that = require authors to cite methods and ideas they use in their work that were = first developed by other people. Therefore, there is no such thing as innoc= ence if authors use an idea or method in their work without citation that w= as first developed by other people and described in the peer-reviewed liter= ature. If authors are incapable of performing a search for relevant prior literatu= re, they should find an occupation besides scientific research. It's not fair to honest and hard-working people to have the system burdened= down by dishonest and/or incompetent people who don't properly cite the pr= ior literature. It's not fair to honest and hard-working people to have gra= nt money given to dishonest and/or incompetent people who don't properly ci= te the prior literature. Sincerely, Tom On Thu, Oct 30, 2014 at 6:31 AM, Jozsef Csontos jcsontos.lists:+:gmail.com<= http://gmail.com/> > wrote: I don't think that this is the right (in every sense of the word) forum for= your claims. What about the presumption of innocence and right of defense = principle? The appropriate place for such claims should be the comment section of the = corresponding journals where the authors listed are also able to response t= o your opinion. I hope no offense was given, Jozsef On 10/30/2014 03:40 AM, Thomas Manz tmanz~~nmsu.edu wrote= : Dear Colleagues, I've had difficulties recently with some researchers using my research idea= s in their publications without citing me. Given the very tight funding env= ironment, this has become an especially serious problem, because the denial= of credit for my work is impacting the funding I can receive to continue m= y research program. I would like to point out the following recent cases: 1) T. Bucko, S. Lebegue, J. G. Angyan, and J. Hafner, "Extending the applic= ability of the Tkatchenko-Scheffler dispersion correction via iterative Hir= shfeld partitioning," J. Chem. Phys. 141 (2014) 034114. These researchers u= sed an idea I was the first to propose and use. Specifically, I was the fir= st to propose and use charge compensated reference atomic ions in stockhold= er-type charge partitioning methods such as Density Derived Electrostatic a= nd Chemical (DDEC) and Iterative Hirshfeld charge partitioning (T. A. Manz = and D. S. Sholl, "Chemically Meaningful Atomic Charges that Reproduce the E= lectrostatic Potential in Periodic and Nonperiodic Materials," J. Chem. The= ory Comput. 6 (2010) 2455-2468.). Even though these researchers used this i= dea, which I was the first to develop and use, they did not cite any of my = work in their journal article. 2) A. J. Misquitta, A. J. Stone, and Farhang Fazeli, "Distributed multipole= s from a robust basis-space implementation of the iterated stockholder atom= s procedure," ArXiv manuscript 1409.5875v1, 2014. These researchers used an= idea I was the first to propose and use. Specifically, I was the first to = propose and use a constraint that enforces exponential decay of atomic weig= hting factors for atom tails in stockholder-type charge partitioning method= s such as Iterated Stockholder Atoms (ISA) and Density Derived Electrostati= c and Chemical (DDEC) charge partitioning ((a) T. A. Manz and D. S. Sholl, = "Methods for Computing Accurate Atomic Spin Moments for Collinear and Nonco= llinear Magnetism in Periodic and Nonperiodic Materials," J. Chem. Theory C= omput. 7 (2011) 4146-4164, (b) T. A. Manz and D. S. Sholl, "Improved Atoms-= in-Molecule Charge Partitioning Functional for Simultaneously Reproducing t= he Electrostatic Potential and Chemical States in Periodic and Nonperiodic = Materials," J. Chem. Theory Comput. 8 (2012) 2844-2867). Even though these = researchers used this idea, which I was the first to develop and use, they = did not cite any of my work in their ArXiv manuscript. It is important that we as a scientific community reward those who are hone= st and punish those who are dishonest. Sincerely, Tom Manz assistant professor Chemical & Materials Engineering New Mexico State University --_000_F0485CF53372470A82892606CAF1A257dukeedu_ Content-Type: text/html; charset="Windows-1252" Content-ID: <828A4C4D22C5D6418A483AB0E1EDBAAE**namprd05.prod.outlook.com> Content-Transfer-Encoding: quoted-printable Dear Thom,

  I can tell you from my personal experience that focusing on the= external factors holding you back is not helpful.  These thoughts are= n=92t helping your research, and these posts to CCL aren=92t enhancing your= reputation.  Is it fair to label someone as dishonest or incompetent based upon one oversight?  Is that a standard any of u= s would enjoy having applied to us?  Even if you=92re right, are the C= CL recipients empowered to enforce the justice you seek? 

  My advice mirrors that of others who have posted here.  Yo= u are quite capable with words, so compose a message to these authors that = brings your work to their attention.  Because you are an originator of= these important ideas, it is likely that the recipients of your message will view you with respect.  If you can manage to con= vey to them both your appreciation for their contributions, and your desire= that they be aware of yours, you may be able to achieve a win/win outcome.=  You will gain the recognition you desire, and they will be honored by your interest.  You might even look rathe= r clever, because you discovered them.  

  You don=92t know me, so I can understand that my advice might n= ot seem valuable to you.  Consider asking Prof. Scholl what he thinks = you should do.  Because he is a corresponding author on your works, he= probably deserves consultation before you take action.

Peace,

Jeff Rawson
Michael Therien Group
Duke University
FFSC Rm 5324C
124 Science Drive
Durham, NC 27708



On Oct 30, 2014, at 8:02 PM, Thomas Manz thomasamanz||gmail.com <o= wner-chemistry**ccl.net> wrote:

Dear Jozsef,

A literature search is an integral part of scientific research.

As far as I'm aware, all peer-review journals have ethical guidelines = that require authors to cite methods and ideas they use in their work that = were first developed by other people. Therefore, there is no such thing as = innocence if authors use an idea or method in their work without citation that was first developed by other= people and described in the peer-reviewed literature.

If authors are incapable of performing a search for relevant prior lit= erature, they should find an occupation besides scientific research.

It's not fair to honest and hard-working people to have the system bur= dened down by dishonest and/or incompetent people who don't properly cite t= he prior literature. It's not fair to honest and hard-working people to hav= e grant money given to dishonest and/or incompetent people who don't properly cite the prior literature.

Sincerely,

Tom

On Thu, Oct 30, 2014 at 6:31 AM, Jozsef Csontos = jcsontos.lists:+:gmail.com <owner-chemistry()ccl.net> wrote:
I don't thi= nk that this is the right (in every sense of the word) forum for your claim= s. What about the presumption of innocence and right of defense principle?

The appropriate place for such claims should be the comment section of the = corresponding journals where the authors listed are also able to response t= o your opinion.

I hope no offense was given,

Jozsef
On 10/30/2014 03:40 AM, Thomas Manz tmanz~~nmsu.edu wrote:
Dear Colleagues,

I've had difficulties recently with some researchers using my research= ideas in their publications without citing me. Given the very tight fundin= g environment, this has become an especially serious problem, because the d= enial of credit for my work is impacting the funding I can receive to continue my research program.

I would like to point out the following recent cases:

1) T. Bucko, S. Lebegue, J. G. Angyan, and J. Hafner, "Extending = the applicability of the Tkatchenko-Scheffler dispersion correction via ite= rative Hirshfeld partitioning," J. Chem. Phys. 141 (2014) 034114. Thes= e researchers used an idea I was the first to propose and use. Specifically, I was the first to propose and use charg= e compensated reference atomic ions in stockholder-type charge partitioning= methods such as Density Derived Electrostatic and Chemical (DDEC) and Iter= ative Hirshfeld charge partitioning (T. A. Manz and D. S. Sholl, "Chemically Meaningful Atomic Charges th= at Reproduce the Electrostatic Potential in Periodic and Nonperiodic Materi= als," J. Chem. Theory Comput. 6 (2010) 2455-2468.). Even though these = researchers used this idea, which I was the first to develop and use, they did not cite any of my work in their journa= l article.

2) A. J. Misquitta, A. J. Stone, and Farhang Fazeli, "Distri= buted multipoles from a robust basis-space implementation of the iterated s= tockholder atoms procedure," ArXiv manuscript 1409.5875v1, 2014. These researchers used an idea I was the first to propose and use.&n= bsp;Specifically, I was the first to propose and use a constraint th= at enforces exponential decay of atomic weighting factors for atom tails in= stockholder-type charge partitioning methods such as Iterated Stockholder Atoms (ISA) and Density Derived Elect= rostatic and Chemical (DDEC) charge partitioning ((a) T. A. Manz and D= . S. Sholl, "Methods for Computing Accurate Atomic Spin Moments for Co= llinear and Noncollinear Magnetism in Periodic and Nonperiodic Materials," J. Chem. Theory Comput. 7 (2011) 4146-416= 4, (b) T. A. Manz and D. S. Sholl, "Improved Atoms-in-Molecule Charge = Partitioning Functional for Simultaneously Reproducing the Electrostatic Po= tential and Chemical States in Periodic and Nonperiodic Materials," J. Chem. Theory Comput. 8 (2012) 2844-2867). = Even though these researchers used this idea, which I was the first to deve= lop and use, they did not cite any of my work in their ArXiv manuscript.

It is important that we as a scientific community reward those who are= honest and punish those who are dishonest.

Sincerely,

Tom Manz
assistant professor
Chemical & Materials Engineering
New Mexico State University




--_000_F0485CF53372470A82892606CAF1A257dukeedu_-- From owner-chemistry@ccl.net Fri Oct 31 16:14:01 2014 From: "Jim Kress ccl_nospam . kressworks.com" To: CCL Subject: CCL: use of research ideas without citation Message-Id: <-50677-141031131637-26871-+rN2eeZYtEIHB0jA7Kz+2w(!)server.ccl.net> X-Original-From: "Jim Kress" Date: Fri, 31 Oct 2014 13:16:35 -0400 Sent to CCL by: "Jim Kress" [ccl_nospam{=}kressworks.com] Tom, I sympathize with your situation. However, I believe, in 99% of the cases, the authors have tried to be diligent in performing a literature search. The problem with literature searching, in todays environment, is the exponentially increasing proliferation of journals that are produced by an increasing number of organizations in more and more countries. It used to be that a literature search only required looking at a few dozen key journals and publications to extract the information one required and define the necessary attribution. Unfortunately, organizations now view journals as cash cows and are spinning off more and more journals, along with subdividing existing journals into new collections of journals which are then subdivided again like a cancer. That results in a literature search over multiple terabytes of data that must be examined in detail. That in itself is a manifestation of another facet of the exploding problem called Big Data and is also a manifestation of the greed factor that is driving the publication industry. We need to stop the exponentially increasing proliferation of journals that are more and more microscopically focused on infinitesimal sub-sub- sub-sub-segments of a given discipline and we need to develop better tools for people to use to search the soon to be petabytes (and beyond) of literature that requires searching. Jim From owner-chemistry@ccl.net Fri Oct 31 16:49:01 2014 From: "Thomas Manz thomasamanz||gmail.com" To: CCL Subject: CCL: use of research ideas without citation Message-Id: <-50678-141031135731-8173-M+QHpu3UeeRZ1Ad2PFtVVg{=}server.ccl.net> X-Original-From: Thomas Manz Content-Type: multipart/alternative; boundary=001a11c170465ca3d80506bbbae4 Date: Fri, 31 Oct 2014 11:57:18 -0600 MIME-Version: 1.0 Sent to CCL by: Thomas Manz [thomasamanz]|[gmail.com] --001a11c170465ca3d80506bbbae4 Content-Type: text/plain; charset=UTF-8 Hi Josh, I agree that the first step should always be to contact the authors of the paper to see if this can resolve the issue. I had first emailed the authors in both cases. In the first case, none of the authors responded to my emails, except I received the following response from Juergen Hafner to my first email "I shall be out of email contact from Oct. 15 to Oct. 26, 2014." At the bottom this message stated: "This is an automatic reply generated by the Out of Office-Program at the University of Vienna. However, your e-mail will be delivered normally." Several days after my first email, I sent a second email to the authors, and never received any reply from any of the authors. In the second case, the authors responded to my emails, but they did not yet correct their ArXiv preprint, even though I requested them to correct it immediately and many days have passed since. Therefore, I think in both cases I've been completely fair to the authors. If it was an unintentional (albeit readily avoidable) oversight, the authors would have apologized and immediately corrected the mistake. Since they did not do this, I'm convinced the authors are being negligent. Sincerely, Tom On Thu, Oct 30, 2014 at 9:15 PM, Adelman, Joshua Lev jla65(0)pitt.edu < owner-chemistry===ccl.net> wrote: > Hi Tom, > > Perhaps consider posting something at PubPeer (https://pubpeer.com/) > which centralizes discussions about specific papers and sends the authors a > notification so that they are aware of the discussion and can comment. > > Just my own 2 cents, while I appreciate your frustration, I would also > allow for the possibility of an genuine mistake. A diplomatic email to an > author suggesting that they might find a paper interesting and relevant to > their own research program might be better received than public shaming and > labeling people as dishonest. At least as a first approach, unless there is > a systematic pattern from a single group. But to each their own. > > Josh > > > > On October 30, 2014 at 10:56:24 PM, Thomas Manz thomasamanz||gmail.com ( > owner-chemistry===ccl.net) wrote: > > Dear Jozsef, > > A literature search is an integral part of scientific research. > > As far as I'm aware, all peer-review journals have ethical guidelines > that require authors to cite methods and ideas they use in their work that > were first developed by other people. Therefore, there is no such thing as > innocence if authors use an idea or method in their work without citation > that was first developed by other people and described in the peer-reviewed > literature. > > If authors are incapable of performing a search for relevant prior > literature, they should find an occupation besides scientific research. > > It's not fair to honest and hard-working people to have the system > burdened down by dishonest and/or incompetent people who don't properly > cite the prior literature. It's not fair to honest and hard-working people > to have grant money given to dishonest and/or incompetent people who don't > properly cite the prior literature. > > Sincerely, > > Tom > > On Thu, Oct 30, 2014 at 6:31 AM, Jozsef Csontos jcsontos.lists:+:gmail.com > wrote: > >> I don't think that this is the right (in every sense of the word) forum >> for your claims. What about the presumption of innocence and right of >> defense principle? >> >> The appropriate place for such claims should be the comment section of >> the corresponding journals where the authors listed are also able to >> response to your opinion. >> >> I hope no offense was given, >> >> Jozsef >> >> On 10/30/2014 03:40 AM, Thomas Manz tmanz~~nmsu.edu wrote: >> >> Dear Colleagues, >> >> I've had difficulties recently with some researchers using my research >> ideas in their publications without citing me. Given the very tight funding >> environment, this has become an especially serious problem, because the >> denial of credit for my work is impacting the funding I can receive to >> continue my research program. >> >> I would like to point out the following recent cases: >> >> 1) T. Bucko, S. Lebegue, J. G. Angyan, and J. Hafner, "Extending the >> applicability of the Tkatchenko-Scheffler dispersion correction via >> iterative Hirshfeld partitioning," J. Chem. Phys. 141 (2014) 034114. These >> researchers used an idea I was the first to propose and use. Specifically, >> I was the first to propose and use charge compensated reference atomic ions >> in stockholder-type charge partitioning methods such as Density Derived >> Electrostatic and Chemical (DDEC) and Iterative Hirshfeld charge >> partitioning (T. A. Manz and D. S. Sholl, "Chemically Meaningful Atomic >> Charges that Reproduce the Electrostatic Potential in Periodic and >> Nonperiodic Materials," J. Chem. Theory Comput. 6 (2010) 2455-2468.). Even >> though these researchers used this idea, which I was the first to develop >> and use, they did not cite any of my work in their journal article. >> >> 2) A. J. Misquitta, A. J. Stone, and Farhang Fazeli, "Distributed >> multipoles from a robust basis-space implementation of the iterated >> stockholder atoms procedure," ArXiv manuscript 1409.5875v1, 2014. These >> researchers used an idea I was the first to propose and use. Specifically, >> I was the first to propose and use a constraint that enforces exponential >> decay of atomic weighting factors for atom tails in stockholder-type charge >> partitioning methods such as Iterated Stockholder Atoms (ISA) and Density >> Derived Electrostatic and Chemical (DDEC) charge partitioning ((a) T. A. >> Manz and D. S. Sholl, "Methods for Computing Accurate Atomic Spin Moments >> for Collinear and Noncollinear Magnetism in Periodic and Nonperiodic >> Materials," J. Chem. Theory Comput. 7 (2011) 4146-4164, (b) T. A. Manz and >> D. S. Sholl, "Improved Atoms-in-Molecule Charge Partitioning Functional for >> Simultaneously Reproducing the Electrostatic Potential and Chemical States >> in Periodic and Nonperiodic Materials," J. Chem. Theory Comput. 8 (2012) >> 2844-2867). Even though these researchers used this idea, which I was the >> first to develop and use, they did not cite any of my work in their ArXiv >> manuscript. >> >> It is important that we as a scientific community reward those who are >> honest and punish those who are dishonest. >> >> Sincerely, >> >> Tom Manz >> assistant professor >> Chemical & Materials Engineering >> New Mexico State University >> >> >> > --001a11c170465ca3d80506bbbae4 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
Hi Josh,

I agree that the first step should always = be to contact the authors of the paper to see if this can resolve the issue= .

I had first emailed the authors in both cases.

In the first= case, none of the authors responded to my emails, except I received the fo= llowing response from Juergen Hafner to my first email "I shall be out= of email contact from Oct. 15 to Oct. 26, 2014." At the bottom this m= essage stated: "This is an automatic reply generated by the Out of Off= ice-Program at the
University of Vienna. However, your e-mail will be de= livered normally." Several days after my first email, I sent a second = email to the authors, and never received any reply from any of the authors.=

In the second case, the authors responded to my emails, but they di= d not yet correct their ArXiv preprint, even though I requested them to cor= rect it immediately and many days have passed since.

Therefore, I th= ink in both cases I've been completely fair to the authors.

If i= t was an unintentional (albeit readily avoidable) oversight, the authors wo= uld have apologized and immediately corrected the mistake.

Since the= y did not do this, I'm convinced the authors are being negligent.
Sincerely,

Tom

On Thu, Oct 30, 2014 at 9:15 PM, Adelman, Joshua Lev jla65(0)pitt.edu <owner-chemistry===ccl.net>= ; wrote:
Hi Tom,

Perhaps consider posting something at PubPeer (https://pubpeer.com/) which centralizes discussi= ons about specific papers and sends the authors a notification so that they= are aware of the discussion and can comment. =C2=A0

Just my own 2 cents, while I appreciate your frustration, I would also all= ow for the possibility of an genuine mistake. A diplomatic email to an author= suggesting that they might find a paper interesting and relevant to their = own research program might be better received than public shaming and label= ing people as dishonest. At least as a first approach, unless there is a systematic pattern from a single gr= oup. But to each their own.=C2=A0

Josh



On October 30, 2014 at 10:56:24 PM, Thomas Manz tho= masamanz||gmail.com (owner-chemistry===c= cl.net) wrote:

Dear Jozsef,

A literature search is an integral part of scientific research.

As far as I'm aware, all peer-review journals have ethical guideli= nes that require authors to cite methods and ideas they use in their work t= hat were first developed by other people. Therefore, there is no such thing= as innocence if authors use an idea or method in their work without citation that was first developed by other= people and described in the peer-reviewed literature.

If authors are incapable of performing a search for relevant prior lit= erature, they should find an occupation besides scientific research.

It's not fair to honest and hard-working people to have the system= burdened down by dishonest and/or incompetent people who don't properl= y cite the prior literature. It's not fair to honest and hard-working p= eople to have grant money given to dishonest and/or incompetent people who don't properly cite the prior literature= .

Sincerely,

Tom

On Thu, Oct 30, 2014 at 6:31 AM, Jozsef Csontos = jcsontos.lists:+:gmail.com <owner-chemistry()ccl.net> wrote:
I don't thi= nk that this is the right (in every sense of the word) forum for your claim= s. What about the presumption of innocence and right of defense principle?

The appropriate place for such claims should be the comment section of the = corresponding journals where the authors listed are also able to response t= o your opinion.

I hope no offense was given,

Jozsef
On 10/30/2014 03:40 AM, Thomas Manz tmanz~~nmsu.edu wrote:
Dear Colleagues,

I've had difficulties recently with some researchers using m= y research ideas in their publications without citing me. Given the very ti= ght funding environment, this has become an especially serious problem, bec= ause the denial of credit for my work is impacting the funding I can receive to continue my research pro= gram.

I would like to point out the following recent cases:

1) T. Bucko, S. Lebegue, J. G. Angyan, and J. Hafner, "Exte= nding the applicability of the Tkatchenko-Scheffler dispersion correction v= ia iterative Hirshfeld partitioning," J. Chem. Phys. 141 (2014) 034114= . These researchers used an idea I was the first to propose and use. Specifically, I was the first to propo= se and use charge compensated reference atomic ions in stockholder-type cha= rge partitioning methods such as Density Derived Electrostatic and Chemical= (DDEC) and Iterative Hirshfeld charge partitioning (T. A. Manz and D. S. Sholl, "Chemically Meaningf= ul Atomic Charges that Reproduce the Electrostatic Potential in Periodic an= d Nonperiodic Materials," J. Chem. Theory Comput. 6 (2010) 2455-2468.)= . Even though these researchers used this idea, which I was the first to develop and use, they did not cite any of m= y work in their journal article.

2)=C2=A0A. J. Misquitta, A. J. Stone, and Farhang Fazeli, "= Distributed multipoles from a robust basis-space implementation of the iter= ated stockholder atoms procedure,"=C2=A0ArXiv manuscript 1409.5875v1, 2014. These researchers used an idea I was the first to propo= se and use.=C2=A0Specifically, I was the first to propose and use a = constraint that enforces exponential decay of atomic weighting factors for = atom tails in stockholder-type charge partitioning methods such as Iterated Stockholder Atoms (ISA) and Density = Derived Electrostatic and Chemical (DDEC) charge partitioning=C2=A0((a) T. = A. Manz and D. S. Sholl, "Methods for Computing Accurate Atomic Spin M= oments for Collinear and Noncollinear Magnetism in Periodic and Nonperiodic Materials," J. Chem. Theory Comput. 7 (20= 11) 4146-4164, (b) T. A. Manz and D. S. Sholl, "Improved Atoms-in-Mole= cule Charge Partitioning Functional for Simultaneously Reproducing the Elec= trostatic Potential and Chemical States in Periodic and Nonperiodic Materials," J. Chem. Theory Comput. 8 (2012)= 2844-2867). Even though these researchers used this idea, which I was the = first to develop and use, they did not cite any of my work in their ArXiv m= anuscript.

It is important that we as a scientific community reward those who are= honest and punish those who are dishonest.

Sincerely,

Tom Manz
assistant professor
Chemical & Materials Engineering
New Mexico State University




--001a11c170465ca3d80506bbbae4-- From owner-chemistry@ccl.net Fri Oct 31 17:24:01 2014 From: "RICHARD WOOD rwoodphd(!)msn.com" To: CCL Subject: CCL: use of research ideas without citation Message-Id: <-50679-141031151408-31473-uP6aqdJraeWRpjFrLF0hqg#server.ccl.net> X-Original-From: RICHARD WOOD Content-Type: multipart/alternative; boundary="_7daf09cf-775e-4d90-a9ff-ddef2b3d6896_" Date: Fri, 31 Oct 2014 14:14:01 -0500 MIME-Version: 1.0 Sent to CCL by: RICHARD WOOD [rwoodphd[A]msn.com] --_7daf09cf-775e-4d90-a9ff-ddef2b3d6896_ Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Then there's the times that someone does work that is included in a paper a= nd they aren't listed as an author on the manuscript-it's happened twice to= me. Richard > From: owner-chemistry]~[ccl.net To: rwoodphd]~[msn.com Subject: CCL: use of research ideas without citation Date: Fri=2C 31 Oct 2014 04:35:22 -0600 Hi Josh=2C I agree that the first step should always be to contact the authors of the = paper to see if this can resolve the issue. I had first emailed the authors in both cases. In the first case=2C none of the authors responded to my emails=2C except I= received the following response from Juergen Hafner to my first email "I s= hall be out of email contact from Oct. 15 to Oct. 26=2C 2014." At the botto= m this message stated: "This is an automatic reply generated by the Out of = Office-Program at theUniversity of Vienna. However=2C your e-mail will be d= elivered normally." Several days after my first email=2C I sent a second em= ail to the authors=2C and never received any reply from any of the authors. In the second case=2C the authors responded to my emails=2C but they did no= t yet correct their ArXiv preprint=2C even though I requested them to corre= ct it immediately and many days have passed since. Therefore=2C I think in both cases I've been completely fair to the authors= . If it was an unintentional (albeit readily avoidable) oversight=2C the auth= ors would have apologized and immediately corrected the mistake. Since they did not do this=2C I'm convinced the authors are being negligent= . As a scientific community=2C it's important for us to police ourselves.When= cases such as these arise=2C there need to be consequences to those who ar= e not properly citing prior literature.These consequences need to include d= enying grant proposals from those who are negligent and awarding grant mone= y to those who are honest and hardworking. If these individuals=2C who are being negligent=2C are awarded grant propos= als=2C this would encourage more bad behavior. Therefore=2C I respectfully request my colleagues to award grant proposals = to people who are honest=2C hardworking=2C and properly cite prior literatu= re and decline grant proposals from those who are negligent and do not prop= erly cite prior literature. Sincerely=2C Tom On Thu=2C Oct 30=2C 2014 at 9:15 PM=2C Adelman=2C Joshua Lev jla65(0)pitt.e= du wrote: =0A= =0A= =0A= =0A= =0A= =0A= =0A= Hi Tom=2C=0A= =0A= =0A= =0A= =0A= Perhaps consider posting something at PubPeer (https://pubpeer.com/) which = centralizes discussions about specific papers and sends the authors a notif= ication so that they are aware of the discussion and can comment. =0A= =0A= =0A= =0A= =0A= =0A= =0A= Just my own 2 cents=2C while I appreciate your frustration=2C I would also = allow=0A= for the possibility of an genuine mistake. A diplomatic email to an author= suggesting that they might find a paper interesting and relevant to their = own research program might be better received than public shaming and label= ing people as dishonest. At least=0A= as a first approach=2C unless there is a systematic pattern from a single = group. But to each their own. =0A= =0A= =0A= =0A= =0A= =0A= =0A= Josh=0A= =0A= =0A= =0A= =0A= =0A= On October 30=2C 2014 at 10:56:24 PM=2C Thomas Manz thomasamanz||gmail.com = (owner-chemistry|*|ccl.net) wrote:=0A= =0A= =0A= =0A= =0A= =0A= Dear Jozsef=2C=0A= =0A= =0A= A literature search is an integral part of scientific research. =0A= =0A= =0A= =0A= As far as I'm aware=2C all peer-review journals have ethical guidelines tha= t require authors to cite methods and ideas they use in their work that wer= e first developed by other people. Therefore=2C there is no such thing as i= nnocence if authors use an idea=0A= or method in their work without citation that was first developed by other= people and described in the peer-reviewed literature.=0A= =0A= =0A= If authors are incapable of performing a search for relevant prior literatu= re=2C they should find an occupation besides scientific research.=0A= =0A= =0A= It's not fair to honest and hard-working people to have the system burdened= down by dishonest and/or incompetent people who don't properly cite the pr= ior literature. It's not fair to honest and hard-working people to have gra= nt money given to dishonest=0A= and/or incompetent people who don't properly cite the prior literature.=0A= =0A= =0A= Sincerely=2C=0A= =0A= =0A= Tom=0A= =0A= =0A= On Thu=2C Oct 30=2C 2014 at 6:31 AM=2C Jozsef Csontos jcsontos.lists:+:gmai= l.com=0A= wrote: =0A= =0A= I don't think that this is the right (in every sense of the word) forum for= your claims. What about the presumption of innocence and right of defense = principle? =0A= =0A= The appropriate place for such claims should be the comment section of the = corresponding journals where the authors listed are also able to response t= o your opinion. =0A= =0A= I hope no offense was given=2C =0A= =0A= Jozsef =0A= =0A= =0A= On 10/30/2014 03:40 AM=2C Thomas Manz tmanz~~nmsu.edu wrote: =0A= =0A= =0A= Dear Colleagues=2C=0A= =0A= =0A= I've had difficulties recently with some researchers using my research idea= s in their publications without citing me. Given the very tight funding env= ironment=2C this has become an especially serious problem=2C because the de= nial of credit for=0A= my work is impacting the funding I can receive to continue my research pro= gram.=0A= =0A= =0A= I would like to point out the following recent cases:=0A= =0A= =0A= 1) T. Bucko=2C S. Lebegue=2C J. G. Angyan=2C and J. Hafner=2C "Extending th= e applicability of the Tkatchenko-Scheffler dispersion correction via itera= tive Hirshfeld partitioning=2C" J. Chem. Phys. 141 (2014) 034114. These res= earchers used an idea=0A= I was the first to propose and use. Specifically=2C I was the first to pro= pose and use charge compensated reference atomic ions in stockholder-type c= harge partitioning methods such as Density Derived Electrostatic and Chemic= al (DDEC) and Iterative Hirshfeld=0A= charge partitioning (T. A. Manz and D. S. Sholl=2C "Chemically Meaningful = Atomic Charges that Reproduce the Electrostatic Potential in Periodic and N= onperiodic Materials=2C" J. Chem. Theory Comput. 6 (2010) 2455-2468.). Even= though these researchers used this=0A= idea=2C which I was the first to develop and use=2C they did not cite any = of my work in their journal article.=0A= =0A= =0A= 2) A. J. Misquitta=2C A. J. Stone=2C and Farhang Fazeli=2C "Distributed mul= tipoles from a robust basis-space implementation of the iterated stockholde= r atoms procedure=2C" ArXiv manuscript=0A= 1409.5875v1=2C 2014. These researchers used an idea I was the first to pro= pose and use. Specifically=2C I was the first to propose and use a constrai= nt that enforces exponential decay of atomic weighting factors for atom tai= ls in stockholder-type charge=0A= partitioning methods such as Iterated Stockholder Atoms (ISA) and Density = Derived Electrostatic and Chemical (DDEC) charge partitioning ((a) T. A. Ma= nz and D. S. Sholl=2C "Methods for Computing Accurate Atomic Spin Moments f= or Collinear and Noncollinear Magnetism=0A= in Periodic and Nonperiodic Materials=2C" J. Chem. Theory Comput. 7 (2011)= 4146-4164=2C (b) T. A. Manz and D. S. Sholl=2C "Improved Atoms-in-Molecule= Charge Partitioning Functional for Simultaneously Reproducing the Electros= tatic Potential and Chemical States in=0A= Periodic and Nonperiodic Materials=2C" J. Chem. Theory Comput. 8 (2012) 28= 44-2867). Even though these researchers used this idea=2C which I was the f= irst to develop and use=2C they did not cite any of my work in their ArXiv = manuscript.=0A= =0A= =0A= It is important that we as a scientific community reward those who are hone= st and punish those who are dishonest. =0A= =0A= =0A= =0A= Sincerely=2C=0A= =0A= =0A= Tom Manz=0A= assistant professor=0A= Chemical & Materials Engineering=0A= New Mexico State University=0A= =0A= =0A= =0A= =0A= =0A= =0A= =0A= =0A= =0A= =0A= =0A= =0A= =0A= =0A= =0A= =0A= = --_7daf09cf-775e-4d90-a9ff-ddef2b3d6896_ Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable
Then there's the times that some= one does work that is included in a paper and they aren't listed as an auth= or on the manuscript-it's happened twice to me.

Richard<= br>
From: owner-chemistry]~[ccl.net
To: rw= oodphd]~[msn.com
Subject: CCL: use of research ideas without citation
D= ate: Fri=2C 31 Oct 2014 04:35:22 -0600

Hi Josh=2C
I agree that the first step should always be to contact t= he authors of the paper to see if this can resolve the issue.
I had first emailed the authors in both cases.

In the first case=2C none of the authors responded to my emails=2C= except I received the following response from =3BJuergen =3BHafner to my fi= rst email "I shall be out of email contact from Oct. 15 to Oct. 26=2C 2014."= At the bottom this message stated: "This is an automatic reply generated by= the Out of Office-Program at the
University of Vienna. However=2C your= e-mail will be delivered normally." Several days after my first email=2C I= sent a second email to the authors=2C and never received any reply from an= y of the authors.

=
In the second case=2C the aut= hors responded to my emails=2C but they did not yet correct their ArXiv pre= print=2C even though I requested them to correct it immediately and many da= ys have passed since.
<= br>
Therefore=2C I thin= k in both cases I've been completely fair to the authors.
=
If it was an unintentional (albeit readily avoidable) over= sight=2C the authors would have apologized and immediately corrected the mi= stake.

Since they did not do this=2C I'm = convinced the authors are being negligent.

When cases such as these= arise=2C there need to be consequences to those who are not properly citin= g prior literature.
The= se consequences need to include denying grant proposals from those who are = negligent and awarding grant money to those who are honest and hardworking.=

= If these individuals=2C w= ho are being negligent=2C are awarded grant proposals=2C this would encoura= ge more bad behavior.
<= /div>

Therefore=2C I respectfully reque= st my colleagues to award grant proposals to people who are honest=2C hardw= orking=2C and properly cite prior literature and decline grant proposals fr= om those who are negligent and do not properly cite prior literature.

Sincerely=2C

Tom



On Thu=2C Oct 30= =2C 2014 at 9:15 PM=2C Adelman=2C Joshua Lev jla65(0)pitt.edu <=3Bowner-chemistry|*|ccl.net<= /a>>=3B wrote:
=0A= =0A= =0A= =0A= =0A=
=0A=
=0A= Hi Tom=2C
=0A=
=0A=
=0A=
=0A=
=0A= Perhaps consider posting something at PubPeer (https://pubpeer.com/) which centralizes discussi= ons about specific papers and sends the authors a notification so that they= are aware of the discussion and can comment.  =3B
=0A=
=0A=
=0A=
=0A=
=0A=

=0A=
=0A=
Just my own 2 cents=2C while I appreciate your frustration= =2C I would also allow=0A= for the possibility of an genuine mistake. A diplomatic email to an author= suggesting that they might find a paper interesting and relevant to their = own research program might be better received than public shaming and label= ing people as dishonest. At least=0A= as a first approach=2C unless there is a systematic pattern from a single = group. But to each their own. =3B
=0A=

=0A=
=0A=
=0A=
=0A=
=0A=
=0A= Josh=0A=

=0A=
=0A=

=0A=
=0A=

=0A=

On October 30=2C 2014 at 10:56:24 PM=2C Thomas M= anz thomasamanz||gmail.com (owner-ch= emistry|*|ccl.net) wrote:

=0A=
=0A=
=0A=
=0A=
=0A= =0A=
Dear Jozsef=2C=0A=

=0A=
=0A=
A literature search is an integral part of scientific research.
=0A=
=0A=

=0A=
=0A=
As far as I'm aware=2C all peer-review journals have ethical guideline= s that require authors to cite methods and ideas they use in their work tha= t were first developed by other people. Therefore=2C there is no such thing= as innocence if authors use an idea=0A= or method in their work without citation that was first developed by other= people and described in the peer-reviewed literature.
=0A=

=0A=
=0A=
If authors are incapable of performing a search for relevant prior lit= erature=2C they should find an occupation besides scientific research.=0A=

=0A=
=0A=
It's not fair to honest and hard-working people to have the system bur= dened down by dishonest and/or incompetent people who don't properly cite t= he prior literature. It's not fair to honest and hard-working people to hav= e grant money given to dishonest=0A= and/or incompetent people who don't properly cite the prior literature.=0A=

=0A=
=0A=
Sincerely=2C
=0A=

=0A=
=0A=
Tom
=0A=
=0A=

=0A=
On Thu=2C Oct 30=2C 2014 at 6:31 AM=2C Jozsef= Csontos jcsontos.lists:+:gm= ail.com=0A= <=3Bowner-chemistry()ccl.net>=3B wrote:
=0A=
=0A=
I don't think that this is the right (in every sense= of the word) forum for your claims. What about the presumption of innocenc= e and right of defense principle?
=0A=
=0A= The appropriate place for such claims should be the comment section of the = corresponding journals where the authors listed are also able to response t= o your opinion.
=0A=
=0A= I hope no offense was given=2C
=0A=
=0A= Jozsef
=0A=
=0A= =0A=
On 10/30/2014 03:40 AM=2C Thomas Manz tmanz~~nmsu.edu wrote:
=0A=
=0A=
=0A=
Dear Colleagues=2C=0A=

=0A=
=0A=
I've had difficulties recently with some researchers using my re= search ideas in their publications without citing me. Given the very tight = funding environment=2C this has become an especially serious problem=2C bec= ause the denial of credit for=0A= my work is impacting the funding I can receive to continue my research pro= gram.
=0A=

=0A=
=0A=
I would like to point out the following recent cases:=0A=

=0A=
=0A=
1) T. Bucko=2C S. Lebegue=2C J. G. Angyan=2C and J. Hafner=2C "E= xtending the applicability of the Tkatchenko-Scheffler dispersion correctio= n via iterative Hirshfeld partitioning=2C" J. Chem. Phys. 141 (2014) 034114= . These researchers used an idea=0A= I was the first to propose and use. Specifically=2C I was the first to pro= pose and use charge compensated reference atomic ions in stockholder-type c= harge partitioning methods such as Density Derived Electrostatic and Chemic= al (DDEC) and Iterative Hirshfeld=0A= charge partitioning (T. A. Manz and D. S. Sholl=2C "Chemically Meaningful = Atomic Charges that Reproduce the Electrostatic Potential in Periodic and N= onperiodic Materials=2C" J. Chem. Theory Comput. 6 (2010) 2455-2468.). Even= though these researchers used this=0A= idea=2C which I was the first to develop and use=2C they did not cite any = of my work in their journal article.
=0A=

=0A=
=0A=
2) =3BA. J. Misquitta=2C A. J. Stone=2C and Farhang Fazeli= =2C "Distributed multipoles from a robust basis-space implementation of the= iterated stockholder atoms procedure=2C" =3BArXiv manuscript=0A= 1409.5875v1=2C 2014. These researchers used an idea I was the first to pro= pose and use. =3BSpecifically=2C I was the first to propose and = use a constraint that enforces exponential decay of atomic weighting factor= s for atom tails in stockholder-type charge=0A= partitioning methods such as Iterated Stockholder Atoms (ISA) and Density = Derived Electrostatic and Chemical (DDEC) charge partitioning =3B((a) T= . A. Manz and D. S. Sholl=2C "Methods for Computing Accurate Atomic Spin Mo= ments for Collinear and Noncollinear Magnetism=0A= in Periodic and Nonperiodic Materials=2C" J. Chem. Theory Comput. 7 (2011)= 4146-4164=2C (b) T. A. Manz and D. S. Sholl=2C "Improved Atoms-in-Molecule= Charge Partitioning Functional for Simultaneously Reproducing the Electros= tatic Potential and Chemical States in=0A= Periodic and Nonperiodic Materials=2C" J. Chem. Theory Comput. 8 (2012) 28= 44-2867). Even though these researchers used this idea=2C which I was the f= irst to develop and use=2C they did not cite any of my work in their ArXiv = manuscript.
=0A=
=0A=
=0A=
It is important that we as a scientific community reward those who are= honest and punish those who are dishonest.
=0A=
=0A=

=0A=
=0A=
Sincerely=2C
=0A=

=0A=
=0A=
Tom Manz
=0A=
assistant professor
=0A=
Chemical &=3B Materials Engineering
=0A=
New Mexico State University
=0A=

=0A=
=0A=
=0A=
=0A=
=0A=
=0A=
=0A=
=0A=
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=0A= =0A=

= --_7daf09cf-775e-4d90-a9ff-ddef2b3d6896_-- From owner-chemistry@ccl.net Fri Oct 31 18:12:00 2014 From: "=?iso-8859-1?Q?V=EDctor_Lua=F1a?= Cabal victor*|*fluor.quimica.uniovi.es" To: CCL Subject: CCL: use of research ideas without citation Message-Id: <-50680-141031162654-13600-w/8woSZc9t4otrb+srIBSQ^-^server.ccl.net> X-Original-From: =?iso-8859-1?Q?V=EDctor_Lua=F1a?= Cabal Content-disposition: inline Content-transfer-encoding: 8BIT Content-type: text/plain; charset=utf-8 Date: Fri, 31 Oct 2014 21:15:00 +0100 MIME-version: 1.0 Sent to CCL by: =?iso-8859-1?Q?V=EDctor_Lua=F1a?= Cabal [victor-#-fluor.quimica.uniovi.es] On Fri, Oct 31, 2014 at 11:53:31AM -0400, Jim Kress ccl_nospam---kressworks.com wrote: > I sympathize with your situation. However, I believe, in 99% of the > cases, the authors have tried to be diligent in performing a literature > search. > > The problem with literature searching, in today’s environment, > is the exponentially increasing proliferation of “journals” that > are produced by an increasing number of organizations in more and > more countries. It used to be that a literature search only required > looking at a few dozen key journals and publications to extract the > information one required and define the necessary attribution. > > Unfortunately, organizations now view “journals” as cash cows and > are spinning off more and more “journals”, along with subdividing > existing “journals” into new collections of “journals” which are > then subdivided again – like a cancer. That results in a literature > search over multiple terabytes of data that must be examined in detail. > > That in itself is a manifestation of another facet of the exploding > problem called “Big Data” and is also a manifestation of the greed > factor that is driving the publication industry. > > We need to stop the exponentially increasing proliferation of > “journals” that are more and more microscopically focused on > infinitesimal sub-sub-sub-sub-segments of a given discipline and we > need to develop better tools for people to use to search the soon to > be petabytes (and beyond) of literature that requires searching. Jim, I agree clearly with your position, but it is not this a consequence of the "publish or perish" that US research has teached us so well? Regards, Víctor -- \|/a "After years of working on a problem the genius shout: |^.^| what an idiot I am ... the solution is trivial!' +-!OO--\_/--OO!------------------------------+----------------------- ! Dr.Víctor Luaña ! ! Departamento de Química Física y Analítica ! ! Universidad de Oviedo, 33006-Oviedo, Spain ! ! e-mail: victor**fluor.quimica.uniovi.es ! ! phone: +34-985-103491 fax: +34-985-103125 ! +----------------------------------------------+ GroupPage : http://azufre.quimica.uniovi.es/ (being reworked) From owner-chemistry@ccl.net Fri Oct 31 18:47:00 2014 From: "Ernst-Walter Ernst-Walter knapp!^!chemie.fu-berlin.de" To: CCL Subject: CCL: use of research ideas without citation Message-Id: <-50681-141031181024-24472-Y/CfhuqqNRrwa6girKrkog(-)server.ccl.net> X-Original-From: "Ernst-Walter Ernst-Walter" Date: Fri, 31 Oct 2014 18:10:19 -0400 Sent to CCL by: "Ernst-Walter Ernst-Walter" [knapp- -chemie.fu-berlin.de] Dear Tom, I fully understand you being upset. It is frustrating not being cited properly. Such things are happening often and some authors do it on purpose and routinely. 1. Being a referee of one manuscript I observed once that cites of my papers were eliminated in the final version, which I could not approve. But from my own experience I recall even worth cases than not being cited: 2. Another case where I was a referee for a manuscript. In the final version a cite of my work was inserted and used supporting the opposite. Again I could not approve the final version. 3. In another case my work was cited in a review article claiming something has been done wrong, which was not the case. From one of the two authors I knew that he did it on purpose. I wrote to the second author. I answered that he does not know and first needs to inform himself about it. This was the last I heart from him. 4. The last case I like to mention is very common. Cites are made with the paraphrase the idea was suggested, while it was in fact done in the reference. My view on this problem is that it is not only in the responsibility of the authors but also of the reviewers and in particular also of the editors. Some of the brand new journals act relatively careless and unprofessional. Several times my PhD students were asked by such journals to provide a review of a submitted manuscript. At the end we can only hope that on the long run the scientific community will become aware of such black sheep in their rows. Do not waste your time on such black sheep. Good luck Tom -- |---------------------------------------------------------------------| | Dr. Ernst-Walter Knapp email: knapp : chemie.fu-berlin.de | | Free University of Berlin Tel.: +49 30 838 54387 | | Department of Biology, Chemistry, Pharmacy Fax.: +49 30 838 56921 | | Institute of Chemistry & Biochemistry | | Macromolecular Modeling and Simulation of Biomolecular Systems | | Fabeckstrasse 36A | | D-14195 Berlin | | Germany www: http://agknapp.chemie.fu-berlin.de | |---------------------------------------------------------------------|