From owner-chemistry@ccl.net Fri May 5 02:54:01 2006 From: "Eric Scerri scerri|-|chem.ucla.edu" To: CCL Subject: CCL: Call for Papers/Centenary of Mendeleev's Death/Special Issue Message-Id: <-31692-060504215655-24727-EUHSIZJ0NH8yFYOKuZpMkA : server.ccl.net> X-Original-From: Eric Scerri Content-Type: multipart/alternative; boundary=Apple-Mail-3-969814756 Date: Thu, 4 May 2006 15:12:19 -0700 Mime-Version: 1.0 (Apple Message framework v728) Sent to CCL by: Eric Scerri [scerri]|[chem.ucla.edu] --Apple-Mail-3-969814756 Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset=WINDOWS-1252; delsp=yes; format=flowed The editors of the journal Foundations of Chemistry invite =20 submissions to a special issue to commemorate the one hundredth =20 anniversary of the death of Mendeleev who died in 1907. This is especially appropriate given that the periodic system is =20 undoubtedly one of the foundations of chemistry. Please see journal webpages for instructions to authors. Deadline: =20 November 30th, 2006. Word limit: Approximately 5000 words but =20 negotiable. Shorter commentaries on any of the previous articles on the periodic =20 system that have appeared in the journal will also be considered for =20 publication. ------------------------------------------------------------------------=20= ------------------------------------------------------------------------=20= ------------------------------------------------------------------------=20= -- Dr. Eric Scerri Department of Chemistry & Biochemistry, Charles Young Drive, Los Angeles, CA 90095. 310 206 7443 fax: 310 206 2061 UCLA faculty web page: http://www.chem.ucla.edu/dept/Faculty/scerri/ Editor of Foundations of Chemistry, http://www.springer.com/sgw/cda/frontpage/0,11855,4-40399-70-35545882-=20= detailsPage%253Djournal%257CmostViewedArticles%257CmostViewedArticles,=20= 00.html International Society for the Philosophy of Chemistry, http://ispc.sas.upenn.edu/ ------------------------------------------------------------------------=20= ------------------------------------------------------------------------=20= ---------- The Periodic Table: Its Story and Its Significance, by Eric Scerri This book is being published by Oxford University Press on Sept 15th, =20= 2006. Advance orders can be placed with Amazon.com at, http://www.amazon.com/gp/product/0195305736/sr=3D1-2/qid=3D1145629377/=20= ref=3Dsr_1_2/102-5744129-2544142?%5Fencoding=3DUTF8&s=3Dbooks price: $ 35.00 (hardcover, 400 pages) Reviews: =93Written to a high standard of scholarship, "The Periodic Table" is =20= the only book of its kind currently on the market, giving both an =20 historical and philosophical perspective to the development of this =20 key to the elements. The philosophical discussion Scerri weaves =20 through its pages is rarely found in chemistry books, giving it a =20 special quality that will appeal to the scientific community at =20 large. In years to come it will be seen as essential reading for all =20 who aspire to lecture and write on the subject.=94 - John Emsley, author of "The Elements" and "Nature's Building =20 Blocks" =93As the author of "The Periodic System of Chemical Elements: A =20 History of the First Hundred Years" (1969), I consider Scerri's "The =20 Periodic Table: Its Story and Its Significance" a worthy successor. I =20= declare his new book a must, not only for all historians of chemistry =20= and the other natural sciences, but also for the scientists and =20 pupils thereof." -- Jan W. van Spronsen, author of "The Periodic System of Chemical =20 Elements: A History of the First Hundred Years" =93Few concepts are more important in chemistry than the periodic =20 table, and Eric Scerri's book offers a wonderfully thorough, lucid, =20 and provocative introduction for both chemists and the scientifically =20= literate to this major cultural contribution. Anyone interested in =20 the foundations of chemistry will take delight, inspiration, and =20 information from this highly approachable book.=94 Peter Atkins, author of "The Periodic Kingdom", "Molecules" etc. =93The periodic table of elements is the family tree of stuff, and Eric =20= Scerri's book tells the story of its evolution--through all the false =20= starts and inspired insights, mutations and selections, driven by =20 philosophy as much as calculation. Like any family story, it's a =20 messy tangle of relationships--between elementary particles and =20 between people. The ultimate question is philosophical: Does it all =20 boil down to different configurations of hydrogen? Or is chemistry--=20 and therefore nature--ultimately irreducible?=94 K.C. Cole, Author of "The Universe and the Teacup: The Mathematics of =20= Truth and Beauty" and "Mind Over Matter: Conversations with the Cosmos". --Apple-Mail-3-969814756 Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset=WINDOWS-1252


The editors of the journal = Foundations of Chemistry=A0invite submissions to a special issue = to commemorate the one hundredth anniversary of the death of Mendeleev = who died in 1907.

This is especially appropriate given that the = periodic system is undoubtedly one of the foundations of = chemistry.

Please see journal webpages = for instructions to authors.=A0 Deadline: November 30th, 2006.=A0 Word = limit: Approximately 5000 words but negotiable.

Shorter commentaries on any = of the previous articles on the periodic system that have appeared in = the journal will also be considered for publication.

-----------------------------= --------------------------------------------------------------------------= --------------------------------------------------------------------------= -----------------------------------------


Dr. Eric = Scerri
Department of Chemistry & = Biochemistry,
Charles Young Drive,
Los = Angeles,
CA 90095.

310 206 7443
fax: = 310 206 2061

UCLA faculty web page:=A0=A0=A0=
------------------------------------------------------------------------= --------------------------------------------------------------------------= --------
The Periodic Table: Its = Story and Its Significance, by Eric Scerri

This book is = being published by Oxford University Press on Sept 15th, = 2006.
Advance orders can be = placed with Amazon.com=A0 =A0at,

price: $ 35.00=A0 = =A0(hardcover,=A0 = 400 pages)

Reviews:
=93Written to a high standard of scholarship, "The Periodic = Table" is the only book of its kind currently on the market, giving both = an historical and philosophical perspective to the development of this = key to the elements. The philosophical discussion Scerri weaves through = its pages is rarely found in chemistry books, giving it a special = quality that will appeal to the scientific community at large. In years = to come it will be seen as essential reading for all who aspire to = lecture and write on the subject.=94

-=A0=A0=A0=A0=A0=A0 John Emsley, author of "The Elements" and "Nature's = Building Blocks"

=93As the author of "The Periodic System of Chemical Elements: = A History of the First Hundred Years" (1969), I consider Scerri's "The = Periodic Table: Its Story and Its Significance" a worthy successor. I = declare his new book a must, not only for all historians of chemistry = and the other natural sciences, but also for the scientists and pupils = thereof."

--=A0Jan W. = van Spronsen, author of "The Periodic System of Chemical Elements: A = History of the First Hundred Years"

=A0

=93Few concepts are more important in chemistry than the = periodic table, and Eric Scerri's book offers a wonderfully thorough, = lucid, and provocative introduction for both chemists and the = scientifically literate to this major cultural contribution. Anyone = interested in the foundations of chemistry will take delight, = inspiration, and information from this highly approachable = book.=94

=A0=A0 =A0=A0 =A0Peter Atkins, author of = "The Periodic Kingdom", "Molecules" etc.

=93The periodic table of elements is the family = tree of stuff, and Eric Scerri's book tells the story of its = evolution--through all the false starts and inspired insights, mutations = and selections, driven by philosophy as much as calculation. Like any = family story, it's a messy tangle of relationships--between elementary = particles and between people. The ultimate question is philosophical: = Does it all boil down to different configurations of hydrogen? Or is = chemistry--and therefore nature--ultimately = irreducible?=94

K.C. Cole, = Author of "The Universe and the Teacup: The Mathematics of Truth and = Beauty" and "Mind Over Matter: Conversations with the = Cosmos".

=A0




= --Apple-Mail-3-969814756-- From owner-chemistry@ccl.net Fri May 5 03:30:00 2006 From: "Michel Petitjean ptitjean . itodys.jussieu.fr" To: CCL Subject: CCL: Cartesian Coordinate Transformation Message-Id: <-31693-060504125240-17463-hE4Xlveg43nNh4U7mj4LGg~!~server.ccl.net> X-Original-From: Michel Petitjean Date: Thu, 4 May 2006 18:11:41 +0200 (MEST) Sent to CCL by: Michel Petitjean [ptitjean:-:itodys.jussieu.fr] To: "CCL Subscribers" Subject: CCL: Re: G: Cartesian Coordinate Transformation How many times should be published and republished the quaternion solution of the RMS problem ? Furthermore, it is simpler to use the vector expression of the quaternion rather than its 4*4 matricial formulation. There are practical details in my two papers in J.Math.Phys: 1999, 40(9), 4587-4595 (see the appendix) 2002, 43(8), 4147-4157 (see appendix A.5 for the extension to nfinite or/and continuous distributions of points) See also: http://petitjeanmichel.free.fr/itoweb.petitjean.shape.html Sent to CCL by: Paul Fleurat-Lessard [Paul.Fleurat-Lessard(a)ens-lyon.fr] > ... > As already mentionned, you can play with the iniertia tensor, but this=20 > can lead to orientation problem. I think that a more robust way is to=20 > use quaternion procedure as in the rmsd calculation. > You can find details in: > J Comput Chem 25: 1849 =AD1857, 2004, 'Using Quaternions to Calculate=20 > RMSD' , EVANGELOS A. COUTSIAS, CHAOK SEOK, KEN A. DILL > ... Michel Petitjean, Email: petitjean-,-itodys.jussieu.fr ITODYS (CNRS, UMR 7086) ptitjean-,-ccr.jussieu.fr 1 rue Guy de la Brosse Phone: +33 (0)1 44 27 48 57 75005 Paris, France. FAX : +33 (0)1 44 27 68 14 http://petitjeanmichel.free.fr/itoweb.petitjean.html From owner-chemistry@ccl.net Fri May 5 05:37:02 2006 From: "Michel Petitjean ptitjean(_)itodys.jussieu.fr" To: CCL Subject: CCL: Call for Papers/Centenary of Mendeleev's Death/Special Issue Message-Id: <-31694-060505053056-27209-y0BoHQIMTg6YJrjtnADDhQ**server.ccl.net> X-Original-From: Michel Petitjean Date: Fri, 5 May 2006 11:30:36 +0200 (MEST) Sent to CCL by: Michel Petitjean [ptitjean_+_itodys.jussieu.fr] To: "CCL Subscribers" Subject: CCL: Re: Call for Papers/Centenary of Mendeleev's Death/Special Issue Sent to CCL by: Eric Scerri [scerri]|[chem.ucla.edu] > The editors of the journal Foundations of Chemistry invite =20 > submissions to a special issue to commemorate the one hundredth =20 > anniversary of the death of Mendeleev who died in 1907. > > This is especially appropriate given that the periodic system is =20 > undoubtedly one of the foundations of chemistry. > ... Undoubtly it is. Some gadgets have been derived from it, such as the Graphic Mendeleev Table: http://petitjeanmichel.free.fr/itoweb.petitjean.graphs.html#GMT Michel Petitjean, Email: petitjean|*|itodys.jussieu.fr ITODYS (CNRS, UMR 7086) ptitjean|*|ccr.jussieu.fr 1 rue Guy de la Brosse Phone: +33 (0)1 44 27 48 57 75005 Paris, France. FAX : +33 (0)1 44 27 68 14 http://petitjeanmichel.free.fr/itoweb.petitjean.graphs.html From owner-chemistry@ccl.net Fri May 5 08:43:00 2006 From: "Carsten Detering detering-#-biosolveit.de" To: CCL Subject: CCL: 4th FlexX Docking Workshop Message-Id: <-31695-060505084116-10061-MMBK1aSRP8jTDOlNr1xKCw . server.ccl.net> X-Original-From: "Carsten Detering" Date: Fri, 5 May 2006 08:41:16 -0400 Sent to CCL by: "Carsten Detering" [detering---biosolveit.de] Dear CClers, this year, BioSolveIT will host the 4th FlexX Docking Workshop back-to-back with the 432nd ACS Meeting in San Francisco. The workshop will take place September 7 and 8 in the San Francisco Bay area (TBA). Participants will be learning FlexX Release 2's innermost capabilities on individual workstations, sponsored by SUN Microsystems. If you want to know more details about the workshop, please visit our website: http://www.biosolveit.de/workshops/2006 For the day in between the workshop and the ACS Meeting (Saturday, September 9), we will be raffling activities such as Whale Watching tours, visits to Golden Gate Park, Museums and the like among the first ten to register. *Please note: Early bird deadline is May 31st, 2006. So hurry up to get your reduced rate!* Looking forward to seeing you in San Fran, BioSolveIT, -the developers of FlexX BTW: FlexX can be licensed from us directly now. Just write a mail to license**biosolveit.de From owner-chemistry@ccl.net Fri May 5 12:09:00 2006 From: "IEJMD iejmd a yahoo.com" To: CCL Subject: CCL: IEJMD - Special issue dedicated to Professor Lemont B. Kier on the occasion of the 75th birthday Message-Id: <-31696-060505113037-20915-9npsmt30WZS6VIpp5HwFtA+*+server.ccl.net> X-Original-From: IEJMD Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=iso-8859-1 Date: Fri, 5 May 2006 08:30:28 -0700 (PDT) MIME-Version: 1.0 Sent to CCL by: IEJMD [iejmd###yahoo.com] IEJMD - Special issue dedicated to Professor Lemont B. Kier on the occasion of the 75th birthday The first group of papers dedicated to Professor Lemont B. Kier on the occasion of the 75th birthday was published in IEJMD - the Internet Electronic Journal of Molecular Design, http://www.biochempress.com/ All PDF files are free to download. The opening paper, by Professor Lemont B. Kier, is: My Journey Through Structure: The Structure of My Journey. For a copy, go to: http://biochempress.com/av05_0181.html. Professor Lemont B. Kier is co-author of the connectivity and electrotopological indices, which are widely used in drug design and QSAR (quantitative structure-activity relationships). The remaining papers will be published in groups of 5-6/month. The deadline for submitting papers for this special issue is June 1st, 2006. Best regards, Ovidiu ###################### Dr. Ovidiu Ivanciuc IEJMD: http://www.biochempress.com URL: http://ivanciuc.org/ Email: iejmd,yahoo.com __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com From owner-chemistry@ccl.net Fri May 5 23:26:00 2006 From: "yorth kos yortama2003/a\yahoo.ca" To: CCL Subject: CCL: Gas phase aciditiy and basicity of various organic acides and bases! Message-Id: <-31697-060505123334-5634-5D/tWg1vrepnJbkv8NqSgw _ server.ccl.net> X-Original-From: yorth kos Content-Transfer-Encoding: 8bit Content-Type: multipart/alternative; boundary="0-725951840-1146843206=:26692" Date: Fri, 5 May 2006 11:33:26 -0400 (EDT) MIME-Version: 1.0 Sent to CCL by: yorth kos [yortama2003=yahoo.ca] --0-725951840-1146843206=:26692 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 8bit Dear all CCL'ers I'm looking for a website related to the gas phase acidity and basicity of a huge number of organic molecules.I would really appreciate if somebody could kindly provide me any information! My best wishes in advance Hossein --------------------------------- Now you can have a huge leap forward in email: get the new Yahoo! Mail. --0-725951840-1146843206=:26692 Content-Type: text/html; charset=iso-8859-1 Content-Transfer-Encoding: 8bit
Dear all CCL'ers
 
I'm looking for a website  related to the gas phase acidity and basicity of a huge number of organic molecules.I would really appreciate if somebody could kindly provide me any information!
 
My best wishes in advance
Hossein


Now you can have a huge leap forward in email: get the new Yahoo! Mail. --0-725951840-1146843206=:26692--