Simple excited state calculation gives first excited ener= gy as the first root. Optimization of the first excited state corresponds t= o the minimum energy of that PES.

Sent from Nokia Lumia

From: Varun Kundi Kundi chemvarun*gmail.com
Sent: =E2= =80=8E04-=E2=80=8E02-=E2=80=8E2015 06:03 PM
To: = Hatua, Kaushik
Subject: CCL: Excited State Calculations

Sent = to CCL by: "Varun Kundi Kundi" [chemvarun^-^gmail.com]
Hello Everybody,<= br>
How to evaluate the total energy of the first excited state in the g= round
state geometry ES1(QS0) and the total energy of the first excited= state in
the excited state geometry ES1(QS1) using G09.

-=3D This is automatically added to each message by the mailing script =3D= -
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=
= --_83E5D8C1-54B4-4E86-A05C-414E94E5C1D4_-- From owner-chemistry@ccl.net Thu Feb 5 06:27:01 2015 From: "fatima serag fatimaserag*_*hotmail.com" To: CCL Subject: CCL: free server for CASTEP calculations Message-Id: <-51000-150204163733-25162-rGpBYstNKShNqp4m6kf/3Q#,#server.ccl.net> X-Original-From: "fatima serag" Date: Wed, 4 Feb 2015 16:37:32 -0500 Sent to CCL by: "fatima serag" [fatimaserag*hotmail.com] Hi CCL members could some one advice the available free servers applying material studio calculations? best wishes Fatima From owner-chemistry@ccl.net Thu Feb 5 08:54:00 2015 From: "Angelo Quartarolo angelo.quartarolo[]unical.it" To: CCL Subject: CCL: Excited State Calculations Message-Id: <-51001-150205085129-31890-rMB+yqMGV6BYrA0SoY1TGA~!~server.ccl.net> X-Original-From: Angelo Quartarolo Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=UTF-8 Date: Thu, 5 Feb 2015 14:51:22 +0100 MIME-Version: 1.0 Sent to CCL by: Angelo Quartarolo [angelo.quartarolo_._unical.it] Hi, if your input file contains the ground state optimized geometry then for example the route #p B3LYP/6-31G opt TD will give in the first part of the output "Total Energy ..." of the first three excited states at the ground state geometry. At the end of the file, if the S1 optimization normally ended, you will get the "Total Energy .." of the first three excited states at the S1 geometry.It seems this is what you needed. Best regards Quartarolo Domenico 2015-02-05 11:33 GMT+01:00 Kaushik Hatua kaushikhatua===yahoo.in : > Simple excited state calculation gives first excited energy as the first root. Optimization of the first excited state corresponds to the minimum energy of that PES. > > Sent from Nokia Lumia > > -----Original Message----- >> From: "Varun Kundi Kundi chemvarun*gmail.com" > Sent: ‎04-‎02-‎2015 06:03 PM > To: "Hatua, Kaushik " > Subject: CCL: Excited State Calculations > > > Sent to CCL by: "Varun Kundi Kundi" [chemvarun^-^gmail.com] > Hello Everybody, > > How to evaluate the total energy of the first excited state in the ground > state geometry ES1(QS0) and the total energy of the first excited state in > the excited state geometry ES1(QS1) using G09.http://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/spammers.txt--_83E5D8C1-54B4-4E86-A05C-414E94E5C1D4_ > Content-Transfer-Encoding: quoted-printable > Content-Type: text/html; charset"utf-8" > >

Simple excited state calculation gives first excited energy as the first root. Optimization of the first excited state corresponds to the minimum energy of that PES.

Sent from Nokia Lumia

From: Varun Kundi Kundi chemvarun*gmail.com
Sent: ‎04-‎02-‎2015 06:03 PM
To: Hatua, Kaushik
Subject: CCL: Excited State Calculations

Sent to CCL by: "Varun Kundi Kundi" [chemvarun^-^gmail.com]
Hello Everybody,

How to evaluate the total energy of the first excited state in the ground
state geometry ES1(QS0) and the total energy of the first excited state in
the excited state geometry ES1(QS1) using G09.

E-mail to subscribers: CHEMISTRY/./ccl.net or use:


E-mail to administrators: CHEMISTRY-REQUEST/./ccl.net or use




From owner-chemistry@ccl.net Thu Feb 5 11:57:00 2015 From: "Carlos Simmerling carlos.simmerling,+,stonybrook.edu" To: CCL Subject: CCL: Applications for the ACS COMP divisional awards for Boston Fall 2015 Message-Id: <-51002-150205115614-28817-T68Q+pQhJ9mDWCJ36WC1dg%%server.ccl.net> X-Original-From: "Carlos Simmerling" Date: Thu, 5 Feb 2015 11:56:13 -0500 Sent to CCL by: "Carlos Simmerling" [carlos.simmerling|stonybrook.edu] Applications are open for travel awards from the ACS Division of Computers in Chemistry, to be awarded at the fall 2015 National ACS Meeting in Boston, MA (August 16 - 20, 2015). The deadline to apply for the Graduate Student and Junior Faculty awards is midnight EDT Monday, March 23, 2015. More information about each award and how to apply is provided at their respective links below. Chemical Computing Group Excellence Award for Graduate Students http://www.acscomp.org/awards/chemical-computing-group-excellence-award OpenEye Outstanding Junior Faculty Award in Computational Chemistry (tenure-track Assistant Professors) http://www.acscomp.org/awards/the-comp-acs-outstanding-junior-faculty-award NVIDIA GPU Award Please note that the submission deadline for the NVIDIA GPU Award is midnight EDT Monday, March 30, 2015. http://www.acscomp.org/awards/nvidia-gpu-award Please feel free to forward this announcement to any relevant research labs or email lists. Carlos Simmerling Chair, ACS COMP Division Awards Committee carlos.simmerling-,-stonybrook.edu Reminder: The March 23rd deadline is ONLY for the Graduate Student and Junior Faculty awards. All other COMP abstracts can be submitted via MAPS until midnight Eastern Time on Monday, March 30, 2015. Brief instructions to help you submit your abstract using MAPS ( acsnm250.abstractcentral.com/ ) are provided here: http://www.acscomp.org/meetings/presenter-information#TOC-Abstract-Submissions From owner-chemistry@ccl.net Thu Feb 5 12:39:01 2015 From: "Kaushik Hatua kaushikhatua|-|yahoo.in" To: CCL Subject: CCL: Help needed for CASSCF computation either in g09 or in NWChem Message-Id: <-51003-150205053328-16901-Aw0BmKX4DQecFfjav4bQsA{=}server.ccl.net> X-Original-From: Kaushik Hatua Content-Type: multipart/alternative; boundary="_D88C1121-721B-4D11-9286-F7E8D576EB19_" Date: Thu, 5 Feb 2015 16:03:07 +0530 MIME-Version: 1.0 Sent to CCL by: Kaushik Hatua [kaushikhatua===yahoo.in] --_D88C1121-721B-4D11-9286-F7E8D576EB19_ Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset="utf-8" Natural orbitals are better than canonical orbital for convergence. For big= molecule natural occupation usually suggest a very large active space whic= h is extremely time consuming. So it would be better to choose active space= in such way that it correlate the real picture. CAS result depends upon CA= S maker. Sent from Nokia Lumia=20 -----Original Message----- > From: "Mehboob Alam mehboob.cu{}gmail.com" Sent: =E2=80=8E05-=E2=80=8E02-=E2=80=8E2015 12:20 AM To: "Hatua, Kaushik " Subject: CCL: Help needed for CASSCF computation either in g09 or in NWChem Hi Kaushik, One way to choose the active space is to look into the occupation number of= the natural orbitals. I have done some MCSCF calculation but using the DAL= TON program package only. What I do is that I run a single point MP2 calcul= ation using DALTON and analyse the natural orbital occupation which clearly= tells which orbital is active and which is not. However for big molecules,= it will be much time consuming.=20 Regards, Mehboob Dr. Md. Mehboob Alam Post-Doctoral Researcher Institut de Chimie de Strasbourg=20 Laboratoire de Chimie Quantique Universit=C3=A9 de Strasbourg PostDoc Supervisor - Dr. Emmanuel Fromager On Wed, Feb 4, 2015 at 2:56 PM, Kaushik Hatua kaushikhatua|*|yahoo.in wrote: For CASSCF you can see the example in g09 website first. Since you confirme= d the intermediate as biradical then a minimum active space 2,2 is needed. = Actually it's very difficult to say. Active space selection is not straight= forward. Where is the two unpaired electron, which orbital they reside all = this are necessary. One black box technique can be adapted where all valenc= e electrons are included in the active space. If the system is big then it = would be time consuming. Sent from Nokia Lumia -----Original Message----- > From: "Rana, Anup rana[a]chemie.uni-siegen.de" Sent: 03-02-2015 06:05 AM To: "Hatua, Kaushik " Subject: CCL: Help needed for CASSCF computation either in g09 or in NWChem Sent to CCL by: "Rana, Anup" [rana*|*chemie.uni-siegen.de] Hi all, Recently I performed one reaction and when I did DFT computation, I found t= hat the reaction is following a stepwise path involving biradical intermedi= ate. So far I know from literature that CASSCF can treat all those multiref= erence problems very well. I have never done CASSCF computation and that is= why I am worried about that. It would be really nice if someone suggest me= , step by step, how to do this computation either in g09 or in NWChem. I am= not a theoretician and that is why a clear technical aspect would be reall= y great for me. Thank you very much in advance. With best regards, Anup Rana -=3D This is automatically added to each message by the mailing script =3D-=Job: = http://www.ccl.net/jobs--_1BFEA483-BEDE-4B2= 2-9F0D-828A16B0EF11_ Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset"utf-8"

For CASSCF you can see the example in g09 website first. = Since you confirmed the intermediate as biradical then a minimum active spa= ce 2,2 is needed. Actually it's very difficult to say. Active space selecti= on is not straightforward. Where is the two unpaired electron, which orbita= l they reside all this are necessary. One black box technique can be adapte= d where all valence electrons are included in the active space. If the syst= em is big then it would be time consuming.

Sent from Nokia Lumia

From: Rana, Anup rana[a]chemie.uni-siegen.de
03-02-2015 06:05 AM
To: Hatua, Kaushik
Subject: CCL: Help ne= eded for CASSCF computation either in g09 or in NWChem

=
Sent to CCL by: "Rana, Anup" [rana*|*chemie.uni-siegen.de]
Hi all,
Recently I performed one reaction and when I did DFT computation, I f= ound that the reaction is following a stepwise path involving biradical int= ermediate. So far I know from literature that CASSCF can treat all those mu= ltireference problems very well. I have never done CASSCF computation and t= hat is why I am worried about that. It would be really nice if someone sugg= est me, step by step, how to do this computation either in g09 or in NWChem= . I am not a theoretician and that is why a clear technical aspect would be= really great for me.

Thank you very much in advance.

With be= st regards,
Anup Rana

-=3D This is automatically added to= each message by the mailing script =3D-

E-mail to subscr= ibers: CHEMISTRY+/-ccl.net or use:
      http:/= /www.ccl.net/cgi-bin/ccl/send_ccl_message

E-mail to administrators: = CHEMISTRY-REQUEST+/-ccl.net or use
      http:/= /www.ccl.net/cgi-bin/ccl/send_ccl_message
    = ;
Conferences: http://= server.ccl.net/chemistry/announcements/conferences/

Search Messages:= http://www.ccl.net/chemistry/searchccl/index.shtml

If your mail bou= nces from CCL with 5.7.1 error, check:


= --_D88C1121-721B-4D11-9286-F7E8D576EB19_ Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset="utf-8"

Natural orbitals are better than canonical orbital for co= nvergence. For big molecule natural occupation usually suggest a very large= active space which is extremely time consuming. So it would be better to c= hoose active space in such way that it correlate the real picture. CAS resu= lt depends upon CAS maker.

Sent from Nokia Lumia

From: Mehb= oob Alam mehboob.cu{}gmail.com
Sent: =E2=80=8E05-=E2= =80=8E02-=E2=80=8E2015 12:20 AM
To: Hatua, Kaushik
Subjec= t: CCL: Help needed for CASSCF computation either in g09 or in NWChem<= br>

Hi Kaushik,

One way to cho= ose the active space is to look into the occupation number of the natural o= rbitals. I have done some MCSCF calculation but using the DALTON program pa= ckage only. What I do is that I run a single point MP2 calculation using DA= LTON and analyse the natural orbital occupation which clearly tells which o= rbital is active and which is not. However for big molecules, it will be mu= ch time consuming.

Regards,

Mehboob

Dr. Md. Mehboob Ala= m

Post-Doctoral Researcher

Institut de Chimie de Strasbou= rg

Laboratoire de Chimie Quantique

Universit=C3=A9 de St= rasbourg

PostDoc Supervisor - Dr. Emmanuel Fromager

=0A=

On Wed, Feb 4, 2015 at 2:56 PM, Kaushik Hatu= a kaushikhatua|*|yahoo.in <owner-c= hemistry . ccl.net> wrote:

Fo= r CASSCF you can see the example in g09 website first. Since you confirmed = the intermediate as biradical then a minimum active space 2,2 is needed. Ac= tually it's very difficult to say. Active space selection is not straightfo= rward. Where is the two unpaired electron, which orbital they reside all th= is are necessary. One black box technique can be adapted where all valence = electrons are included in the active space. If the system is big then it wo= uld be time consuming.
=0A=
=0A= Sent from Nokia Lumia
=0A=
=0A= -----Original Message-----
=0A= > From: "Rana, Anup rana[a]chemie.uni-siegen.de" <owner-chemistry+/-ccl.net>
=0A= Sent: 03-02-2015 06:05 AM
=0A= To: "Hatua, Kaushik " <kaushikhatua+/-yahoo.in>
=0A= Subject: CCL: Help needed for CASSCF computation either in g09 or in NWChem=
=0A=
=0A=
=0A= Sent to CCL by: "Rana, Anup" [rana*|*chemie.uni-siegen.de]
=0A= Hi all,
=0A=
=0A= Recently I performed one reaction and when I did DFT computation, I found t= hat the reaction is following a stepwise path involving biradical intermedi= ate. So far I know from literature that CASSCF can treat all those multiref= erence problems very well. I have never done CASSCF computation and that is= why I am worried about that. It would be really nice if someone suggest me= , step by step, how to do this computation either in g09 or in NWChem. I am= not a theoretician and that is why a clear technical aspect would be reall= y great for me.
=0A=
=0A= Thank you very much in advance.
=0A=
=0A= With best regards,
=0A= Anup Rana
=0A=
=0A=
=0A=
=0A= -=3D This is automatically added to each message by the mailing script =3D-= http://www.ccl.net/cgi-bin/ccl/send_ccl_messageSubs= cribe/Unsubscribe: Job: http://www.ccl.net/jobs http://www.ccl.net/spammers.txt--_1BFEA483-BEDE-4B22-9F0D-= 828A16B0EF11_
=0A= Content-Transfer-Encoding: quoted-printable
=0A= Content-Type: text/html; charset"utf-8"
=0A=
=0A= <html><head><meta http-equiv=3D"Content-Type" content=3D"tex= t/html; charset=3Dutf-8"></head><body><div><div sty= le=3D"font-family: Calibri,sans-serif; font-size: 11pt;">For CASSCF you = can see the example in g09 website first. Since you confirmed the intermedi= ate as biradical then a minimum active space 2,2 is needed. Actually it's v= ery difficult to say. Active space selection is not straightforward. Where = is the two unpaired electron, which orbital they reside all this are necess= ary. One black box technique can be adapted where all valence electrons are= included in the active space. If the system is big then it would be time c= onsuming. Sent from Nokia Lumia </div></div>= <div dir=3D"ltr"><hr>From: <spa= n style=3D"font-family: Calibri,sans-serif; font-size: 11pt;"><a href= =3D"mailto:owner-chemistry+/-ccl.net">Rana, Anup rana[a]= chemie.uni-siegen= .de</a> Sent: = 03-= 02-2015 06:05 AM To: <= ;span style=3D"font-family: Calibri,sans-serif; font-size: 11pt;"><a = href=3D"mailto:kaushikhatua+/-yahoo.in">Hatua, Kaushik <= ;/a> Subject: <spa= n style=3D"font-family: Calibri,sans-serif; font-size: 11pt;">CCL: Help = needed for CASSCF computation either in g09 or in NWChem<br= > </div> Sent to CCL by: "Rana, Anup" [rana*|*chemie.uni-siegen.d= e] Hi all, Recently I performed one reactio= n and when I did DFT computation, I found that the reaction is following a = stepwise path involving biradical intermediate. So far I know from literatu= re that CASSCF can treat all those multireference problems very well. I hav= e never done CASSCF computation and that is why I am worried about that. It= would be really nice if someone suggest me, step by step, how to do this c= omputation either in g09 or in NWChem. I am not a theoretician and that is = why a clear technical aspect would be really great for me. <br&= gt;Thank you very much in advance. With best regards,<= ;br>Anup Rana -=3D This is automa= tically added to each message by the mailing script =3D- <br<= ;br> E-mail to subscribers: CHEMISTRY+/-ccl.net or use:  &= ;nbsp;    http://www.ccl.net/cgi-bin/ccl/send= _ccl_message E-mail to administrators: CHEMISTRY-REQ= UEST+/-ccl.net or use<b= r>      http://www.ccl.n= et/cgi-bin/ccl/send_ccl_message <br  &= ;nbsp;    <br Job= : http://www.ccl.net/= jobs Conferences: http://server.ccl.net/chemist= ry/announcements/conferences/ Search Messages: http://www.ccl.net/chemistry/searchccl/index.shtml =  &= amp;nbsp;    <br = </body></html>

=0A= = --_D88C1121-721B-4D11-9286-F7E8D576EB19_-- From owner-chemistry@ccl.net Thu Feb 5 13:14:01 2015 From: "=?iso-8859-1?Q?V=EDctor_Lua=F1a?= Cabal victor*fluor.quimica.uniovi.es" To: CCL Subject: CCL: Norms in the CCL list Message-Id: <-51004-150205085513-32490-xiFyMKCToXs3CUpOIXFcjg-$-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=iso-8859-1 Date: Thu, 05 Feb 2015 14:50:58 +0100 MIME-version: 1.0 Sent to CCL by: =?iso-8859-1?Q?V=EDctor_Lua=F1a?= Cabal [victor .. fluor.quimica.uniovi.es] To the mew persons asking questions in this network, 1) It is important to follow the minimal norms of courtesy. 2) As this network attends people from many countries and customs it is important for the newcomers to do some research on what is used in the network. 3) I don't remember right now if there is a FAQ for CCL and where. 4) I remember anyway that the use of HTML mail was accepted to be ineficient and it was good practice for people receiving many answers to a question to try to produce a resume and give it back to the network. Enjoy the rest of the week, Dr. V�ctor Lua�a -- . . "La suma de la mediocridad y de la creatividad es / `' \ constante: a m�s de la una menos de la otra" /(o)(o)\ (Jorge Wasenberg, 2015) /`. \/ .'\ "mediocrity+creativity=constant" / '`'` \ (First Principle of thermodynamics,Universal version) | \'`'`/ | "Lo mediocre es peor que lo bueno, pero tambi�n es peor | |'`'`| | que lo malo, porque la mediocridad no es un grado, es una \/`'`'`'\/ actitud" ===(((==)))==================================+========================= ! Dr.V�ctor Lua�a ! Mediocre is worse than ! Departamento de Qu�mica F�sica y Anal�tica ! good, but it is also ! Universidad de Oviedo, 33006-Oviedo, Spain ! worse than bad, because ! e-mail: victor:+:fluor.quimica.uniovi.es ! mediocrity is not a grade, ! phone: +34-985-103491 fax: +34-985-103125 ! it is an attitude +--------------------------------------------+ GroupPage : http://azufre.quimica.uniovi.es/ (being reworked) From owner-chemistry@ccl.net Thu Feb 5 15:07:01 2015 From: "Marcel Swart marcel.swart^icrea.cat" To: CCL Subject: CCL: Norms in the CCL list Message-Id: <-51005-150205144921-9957-0zVRC7s7OZUi+F5zxCSkxw _ server.ccl.net> X-Original-From: Marcel Swart Content-Transfer-Encoding: 7bit Content-Type: multipart/alternative; boundary=Apple-Mail-40C8DF6B-BD45-4D0A-8DFE-F698CD678B67 Date: Thu, 5 Feb 2015 20:49:09 +0100 Mime-Version: 1.0 (1.0) Sent to CCL by: Marcel Swart [marcel.swart^^^icrea.cat] --Apple-Mail-40C8DF6B-BD45-4D0A-8DFE-F698CD678B67 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: quoted-printable> On 05 Feb 2015, at 14:50, V=C3=ADctor Lua=C3=B1a Cabal victor*fluor.quimic= a.uniovi.es wrote: >=20 >=20 > Sent to CCL by: =3D?iso-8859-1?Q?V=3DEDctor_Lua=3DF1a?=3D Cabal [victor ..= fluor.quimica.uniovi.es] > To the mew persons asking questions in this network, >=20 > 1) It is important to follow the minimal norms of courtesy. > 2) As this network attends people from many countries and customs > it is important for the newcomers to do some research on what > is used in the network. > 3) I don't remember right now if there is a FAQ for CCL and where. > 4) I remember anyway that the use of HTML mail was accepted to be > ineficient and it was good practice for people receiving many > answers to a question to try to produce a resume and give it back > to the network. >=20 > Enjoy the rest of the week, > Dr. V=C3=ADctor Lua=C3=B1a >=20 > -- > . . "La suma de la mediocridad y de la creatividad es > / `' \ constante: a m=C3=A1s de la una menos de la otra" > /(o)(o)\ (Jorge Wasenberg, 2015) > /`. \/ .'\ "mediocrity+creativity=3Dconstant" > / '`'` \ (First Principle of thermodynamics,Universal version) > | \'`'`/ | "Lo mediocre es peor que lo bueno, pero tambi=C3=A9n es peor > | |'`'`| | que lo malo, porque la mediocridad no es un grado, es una > \/`'`'`'\/ actitud" > =3D=3D=3D(((=3D=3D)))=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D+=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D > ! Dr.V=C3=ADctor Lua=C3=B1a ! Mediocre is worse= than > ! Departamento de Qu=C3=ADmica F=C3=ADsica y Anal=C3=ADtica ! good, but it= is also > ! Universidad de Oviedo, 33006-Oviedo, Spain ! worse than bad, because > ! e-mail: victor+*+fluor.quimica.uniovi.es ! mediocrity is not a grade= , > ! phone: +34-985-103491 fax: +34-985-103125 ! it is an attitude > +--------------------------------------------+ > GroupPage : http://azufre.quimica.uniovi.es/ (being reworked) >=20 >=20 >=20 > -=3D This is automatically added to each message by the mailing script =3D= ->=20>=20>=20 > Subscribe/Unsubscribe:=20>=20>=20 > Job: http://www.ccl.net/jobs=20>=20>=20>=20>=20 >=20 --Apple-Mail-40C8DF6B-BD45-4D0A-8DFE-F698CD678B67 Content-Type: text/html; charset=utf-8 Content-Transfer-Encoding: quoted-printable

RTFI: http://www.ccl= .net/chemistry/aboutccl/instructions/

On 05 Feb 2015, at 14:50, V=C3=ADctor Lua=C3=B1a Cabal= victor*fluor.quimica.uniovi.es <owner-chemistry],[ccl.net> wrote:

Sent to CCL by: =3D?iso-8859-1?Q?V=3DEDctor_Lua=3DF1a?=3D Cabal [victor .= . fluor.quimica.uniovi.es]
To the mew persons asking questions in this network,
1) It is important to follow the minimal norms of co= urtesy.
2) As this network attends people from many countrie= s and customs
 it is important for the newcomers= to do some research on what
 is used in the net= work.
3) I don't remember right now if there is a FAQ for CC= L and where.
4) I remember anyway that the use of HTML mail w= as accepted to be
 ineficient and it was good pr= actice for people receiving many
 answers to a q= uestion to try to produce a resume and give it back
&= nbsp;to the network.

Enjoy the rest of the w= eek,
 = &nbs= p; Dr. V=C3=ADctor Lua=C3=B1a
=
--
 . . = "La suma de la mediocridad y de la creatividad es
 / `' \ constante: a m=C3=A1s de la una meno= s de la otra"
 /(o)(o)\ = (Jorge Wasenberg, 2015)
/`. \/ .'\ &nbs= p; "mediocrity+creativity=3Dconstant"
/ '`= '` \ (First Principle of thermodynamics,Universal version)
| \'`'`/ | "Lo mediocre es peor que lo bueno, pero t= ambi=C3=A9n es peor
| |'`'`| | que lo malo, por= que la mediocridad no es un grado, es una
\/`'`'`'\/ &= nbsp;actitud"
=3D=3D=3D(((=3D=3D)))=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D+= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D<= /span>
! &nbs= p; Dr.V=C3=ADctor Lua=C3=B1a = ! Mediocre is worse th= an
! Departamento de Qu=C3=ADmica F=C3=ADsica y Anal=C3=ADti= ca ! good, but it is also
! Universidad de Oviedo, 33006-Ovi= edo, Spain ! worse than bad, because
! e-mail: v= ictor+*+fluor.quimica.uniovi.es ! mediocrity is not a grade,
! phone: +34-985= -103491 fax: +34-985-103125 ! it is an attitude
+-----= ---------------------------------------+
GroupPage : http://azufre.quimica.uniovi.es/ &= nbsp;(being reworked)

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