From owner-chemistry@ccl.net Wed May 21 04:07:00 2008 From: "Ol Ga eurisco1|a|pochta.ru" To: CCL Subject: CCL: charge and trends of activity Message-Id: <-37001-080521034443-1390-v0ZqeUJ8NCpUtujr8TwsUQ:+:server.ccl.net> X-Original-From: "Ol Ga" Date: Wed, 21 May 2008 03:44:39 -0400 Sent to CCL by: "Ol Ga" [eurisco1%pochta.ru] Dear CCL Subscribers Hi all, Could you please let me know the articles, reviews about using of charges (Mulliken,Lowdin, etc) on atoms in organic molecules (specially ethers, alcohol, etc) to give an explanation of chemical activity (tendency) in series of molecules Thanks, Ol Ga From owner-chemistry@ccl.net Wed May 21 05:12:01 2008 From: "Syed Tarique Moin tarisyed^^^yahoo.com" To: CCL Subject: CCL: Hessian matrix to internal coodinates Message-Id: <-37002-080521051118-2596-e+yT/sVbQ3f5Rc8jc6k6eg:_:server.ccl.net> X-Original-From: "Syed Tarique Moin" Date: Wed, 21 May 2008 05:11:14 -0400 Sent to CCL by: "Syed Tarique Moin" [tarisyed]^[yahoo.com] Hello, I am working on force field parameter development for metal complex for amber. I have done optimization as well as frequency calculations! Now i want to calculate the bond stretching force constant as well as angle bending force constant. By frequency calculation, i got output containing hessian matrix. Now i want to convert this hessian matrix into internal coordinates. Anybody can suggest me how to convert these matrices into internal coordinates, then finally into force constants. Regards. From owner-chemistry@ccl.net Wed May 21 05:47:00 2008 From: "Mario Barbatti mario.barbatti%univie.ac.at" To: CCL Subject: CCL: Summer School - Dynamics Simulations, Vienna Message-Id: <-37003-080521052137-7205-RuevA3fbAOXR1V3c5MO9Hg[A]server.ccl.net> X-Original-From: "Mario Barbatti" Date: Wed, 21 May 2008 05:21:34 -0400 Sent to CCL by: "Mario Barbatti" [mario.barbatti- -univie.ac.at] Dear Colleagues, I am pleased to announce the Summer School Mixed Quantum-Classical Dynamics: Foundations and Application to Photo-Biological Questions, which will take place in Vienna, Austria, from July 7 to 12, 2008. Experts from different fields will lecture on topics that include excited-state dynamics simulations, excited-state quantum chemistry, and hybrid methods. Additionally, intensive computational training on mixed quantum-classical dynamics simulation methods will be provided. The School is aimed at graduate students and researchers holding some basis on quantum chemistry. The deadline for registration is May 31. The number of participants is limited and earlier registrations have priority. Lecturers: Gerrit Groenhof - Max Planck Institute for Biophysical Chemistry Hans Lischka - University of Vienna Irene Burghardt - Ecole Normale Suprieure John C. Tully - Yale University Marcus Elstner Technical University of Braunschweig Mario Barbatti - University of Vienna Maurizio Persico University of Pisa Paul Sherwood - Daresbury Laboratory Petr Slavicek - Prague Institute of Chemical Technology Werner Fuss Max Planck Institute for Quantum Optics Organizers: Mario Barbatti - University of Vienna Hans Lischka - University of Vienna Maurizio Persico University of Pisa John C. Tully - Yale University More information: www.univie.ac.at/qccd/mqcd2008 Mario Barbatti, on behalf of the organizers From owner-chemistry@ccl.net Wed May 21 11:16:00 2008 From: "Patrik Rydberg pry!A!farma.ku.dk" To: CCL Subject: CCL: Hessian matrix to internal coodinates Message-Id: <-37004-080521085803-5903-+B9LyJaL94XpOt5f2i/kcQ_+_server.ccl.net> X-Original-From: "Patrik Rydberg" Content-Language: sv Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset="iso-8859-1" Date: Wed, 21 May 2008 14:57:46 +0200 MIME-Version: 1.0 Sent to CCL by: "Patrik Rydberg" [pry:_:farma.ku.dk] Dear Syed, While it is a crude way of getting force field parameters, using the = hessian gives decent parameters which often work quite well. A method to get parameters from such data has been described in: Seminario, J. M. (1996). Int. J. Quantum Chem. Quantum Chem. Symp. 30, 59-65. A more elaborate and usually more accurate method has been described in: Automated Molecular Mechanics Parameterization with Simultaneous = Utilization of Experimental and Quantum Chemical Data", Per-Ola Norrby and Tommy Liljefors, J.Comput.Chem. 1998, 19, 1146-1166. Best regards, Patrik Rydberg -------------------------------------------------------------------------= - Patrik Rydberg, Post-doc, Ph.D. Biostructural Research Group Department of Medicinal Chemistry Faculty of Pharmaceutical=A0 Sciences University of Copenhagen DK-2200 Copenhagen http://www.farma.ku.dk/index.php/Patrik-Rydberg/5304/0/ > -----Original Message----- > From: owner-chemistry[a]ccl.net [mailto:owner-chemistry[a]ccl.net] > Sent: den 21 maj 2008 11:11 > To: Rydberg, Patrik > Subject: CCL: Hessian matrix to internal coodinates >=20 >=20 > Sent to CCL by: "Syed Tarique Moin" [tarisyed]^[yahoo.com] > Hello, >=20 > I am working on force field parameter development for metal complex = for > amber. I have done optimization as well as frequency calculations! Now > i > want to calculate the bond stretching force constant as well as angle > bending force constant. >=20 > By frequency calculation, i got output containing hessian matrix. Now = i > want > to convert this hessian matrix into internal coordinates. Anybody can > suggest me how to convert these matrices into internal coordinates, > then > finally into force constants. >=20 > Regards. >=20 >=20 >=20 > -=3D This is automatically added to each message by the mailing script = =3D- > To recover the email address of the author of the message, please > change>=20>=20>=20>=20>=20> Conferences: = http://server.ccl.net/chemistry/announcements/conferences/ >=20 > Search Messages: http://www.ccl.net/htdig (login: ccl, Password: > search) >=20>=20 From owner-chemistry@ccl.net Wed May 21 11:51:00 2008 From: "Isaac Bersuker bersuker+*+cm.utexas.edu" To: CCL Subject: CCL: charge and trends of activity Message-Id: <-37005-080521094201-11814-TAKQx5GY6Ky8UGkokACC/A(a)server.ccl.net> X-Original-From: Isaac Bersuker Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Wed, 21 May 2008 07:43:43 -0500 MIME-Version: 1.0 Sent to CCL by: Isaac Bersuker [bersuker(-)cm.utexas.edu] Have a look into the electron-conformational method, see, e.g., the review: I. B. Bersuker, Current Pharmaceutical Design, 2003, 9, 1575-1606. Ol Ga eurisco1|a|pochta.ru wrote: > Sent to CCL by: "Ol Ga" [eurisco1%pochta.ru] > Dear CCL Subscribers > > Hi all, > Could you please let me know the articles, reviews about using of charges > (Mulliken,Lowdin, etc) on atoms in organic molecules > (specially ethers, alcohol, etc) to give an explanation of chemical activity > (tendency) in series of molecules > > Thanks, > Ol Ga> > -- Dr. Isaac B. Bersuker Institute for Theoretical Chemistry The University of Texas at Austin Chem & Biochem Department 1 University Station A5300 Austin, TX 78712-0165 Phone: (512) 471-4671; Fax: (512) 471-8696 E-mail: bersuker!A!cm.utexas.edu http://www.cm.utexas.edu/isaac_bersuker From owner-chemistry@ccl.net Wed May 21 13:09:01 2008 From: "Axel Kohlmeyer qmmmworkshop[-]cmm.chem.upenn.edu" To: CCL Subject: CCL: 3rd Annual CMM 'Users Meet Developers' Workshop on QM/MM Simulations Message-Id: <-37006-080521130648-1065-iKk2PWj11T2xnknR3JjEBg _ server.ccl.net> X-Original-From: "Axel Kohlmeyer" Date: Wed, 21 May 2008 13:06:44 -0400 Sent to CCL by: "Axel Kohlmeyer" [qmmmworkshop%x%cmm.chem.upenn.edu] Dear Colleague. We cordially invite you to register for the: 3rd Annual CMM 'Users Meet Developers' Workshop on QM/MM Simulations August 21st to 23rd 2008 in Philadelphia, PA * Goals The primary goal of this annual workshop is to encourage communication between users and developers of different Quantum Mechanics / Molecular Mechanics (QM/MM) approaches and implementations. It is meant to be a forum to exchange ideas about solutions to common problems, demonstrate successes of QM/MM applications and to discuss ways to make QM/MM calculations more versatile and also more accessible for newcomers to the field. To this effect, we particularly invite active developers of QM/MM codes and experienced users. * Format The 2008 workshop is planned to consist of oral and poster presentations on current methods developments and applications of QM/MM simulations in an informal and collegial atmosphere. Previous CMM QM/MM workshops have also shown to be a good platform for graduate students and postdocs to present their work and get useful comments from a competent audience. The schedule will give a lot of room for discussions (1/3 of the time allocated for each oral presentation). We will start on Thursday, August 21st in the evening (8 pm) with a reception, there will be presentations and a poster session on Friday, August 22nd and we close on Saturday, August 23rd in the late afternoon after another round of presentations. * Special Note: QM/MM Symposium at ACS Fall Meeting 2008 in Philadelphia Please note that the CMM QM/MM workshop directly follows the 2008 ACS Fall Meeting (Aug 17-21) in Philadelphia. During the ACS meeting a QM/MM symposium sponsored by the COMP section has been put together by the organizers of the CMM QM/MM workshop. Several of the invited speakers at the ACS symposium have indicated to stay for the CMM workshop as well, and thus the workshop will offer a great opportunity to discuss with experts in the field in a less formal atmosphere. The final program of the ACS symposium is not yet available online, but a link to the QM/MM symposium program will be made available through the workshop homepage. * Cost and Financial Support The workshop is sponsored by the LRSM ( http://www.lrsm.upenn.edu/ ) and the Merck Research Laboratories ( http://www.merck.com/mrl/ ). To keep the administrative overhead low, we don't provide any individual financial support, but in turn there is _NO_ registration or conference fee, and for qualified participants we can provide accommodation support in the form of a block of (double occupancy) rooms at no cost in a hotel within walking distance to the Penn campus. For other participants we will negotiate a discounted rate at the conference hotel. * Registration, Contributions and Participation To register for participation simply send an e-mail to qmmmworkshop*_*cmm.chem.upenn.edu stating: - your full name and affiliation - your research interest (field of research, developer or user, which QM/MM package, level of experience) - whether you would like to contribute a full (30min) or a short (10min) oral presentation and/or a poster and a respective tentative title. - whether you want to apply for accommodation support (see above) or prefer to organize accommodation for yourself. The maximum number of participants and presenters is limited due to the available funding, the size of the lecture hall, and to maintain the informal atmosphere, which has proven to be important for effective discussions. Special preference will be given to participants that increase the diversity of presentations and represented QM/MM codes. * __Deadline__ Please respond until: __June 8th 2008__ Confirmation of your attendance will be sent out via e-mail as soon as possible and at the latest shortly after the deadline. * Venue and Program The workshop will be held on the campus of the University of Pennsylvania in the University City area of Philadelphia. Details of venue and a tentative program will be published on the workshop home page as they become available: http://www.cmm.upenn.edu/qmmm2008.html The web page still contains the details for previous workshops (for your information) and will be updated continuously. * Contact If you have any questions about the workshop or the details of the organization please don't hesitate to contact us at: qmmmworkshop*_*cmm.chem.upenn.edu We are hoping to meet you soon in Philadelphia. On behalf of the CMM and the organizers, Axel Kohlmeyer. 2008/05/19 From owner-chemistry@ccl.net Wed May 21 13:44:01 2008 From: "Daria Khvostichenko dkhvosti|uiuc.edu" To: CCL Subject: CCL: calculation of Arrhenius kinetic parameters Message-Id: <-37007-080521133010-11446-NjyXNhFisoZ4mj4bzaBm8w^^^server.ccl.net> X-Original-From: "Daria Khvostichenko" Date: Wed, 21 May 2008 13:30:06 -0400 Sent to CCL by: "Daria Khvostichenko" [dkhvosti_+_uiuc.edu] Dear CCLers, I am trying to estimate Arrhenuis kinetic parameters for a unimolecular reaction from QM calculations. According to Christopher Cramer's "Essentials of Computational Chemistry", the rate constant can be calculated as follows (Eq. 15.28, 1st Ed.): k_rate = kT/h * exp[-dHa / RT] * exp[ dSa / R] where dHa and dSa are the standard enthalpy and the standard entropy of activation, respectively. However, the way it is split into A and Ea of the Arrhenius equation k_rate = A * exp[-Ea / RT] is as follows (Eq. 15.31 and 15.32): Ea = dHa + RT and A = kT/h * exp[1 + dSa/R] whereas a seemingly more intuitive partition would be: Ea = dHa, A = kT/h * exp[dSa/R]. Both ways of partitioning give the same equation for k_rate from the rate theory because the "extra" terms in -(dHa+RT)/RT and (1+dSa/R) cancel out. I apologize if the question is too trivial, but could somebody explain why these extra terms, RT for dHa and R for S, must be added taken into account in calculation of Arrhenius kinetic parameters? Thank you in advance, Daria From owner-chemistry@ccl.net Wed May 21 14:30:02 2008 From: "Ali S alsa38+/-gmail.com" To: CCL Subject: CCL: Maximum Force Message-Id: <-37008-080521142611-16130-CG8zR3PVOngQlLBthqM11w,,server.ccl.net> X-Original-From: "Ali S" Date: Wed, 21 May 2008 14:26:07 -0400 Sent to CCL by: "Ali S" [alsa38::gmail.com] Dear all I hope you are fine. I have a problem in the optimization process. in fact in this process the maximum force is high and appeare as ***** in the threshold value. i am working in dimer of complex of transition metal with organic ligands which intreact with each other with strong hydrogen bonding. I use lanl2dz & 6-31G basis sets with B3lyp method. Can you help me about this? thanks. Ali S From owner-chemistry@ccl.net Wed May 21 16:53:01 2008 From: "Jeff Woodford jwoodfor**eou.edu" To: CCL Subject: CCL: calculation of Arrhenius kinetic parameters Message-Id: <-37009-080521164038-14505-R5yhVjSN3QD3cGxMFS2cAA]![server.ccl.net> X-Original-From: "Jeff Woodford" Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset="US-ASCII" Date: Wed, 21 May 2008 12:14:20 -0700 MIME-Version: 1.0 Sent to CCL by: "Jeff Woodford" [jwoodfor##eou.edu] If you _define_ the activation energy Ea as the slope of an Arrhenius plot, e.g., d(ln k)/d(1/T), then computing this derivative for Cramer's equation yields Ea = dHa + RT. -Jeff Jeffrey N. Woodford Associate Professor of Chemistry Eastern Oregon University Tel: 541-962-3321 Fax: 541-962-3873 -----Original Message----- > From: owner-chemistry(-)ccl.net [mailto:owner-chemistry(-)ccl.net] Sent: Wednesday, May 21, 2008 10:30 AM To: Woodford, Jeffrey N Subject: CCL: calculation of Arrhenius kinetic parameters Sent to CCL by: "Daria Khvostichenko" [dkhvosti_+_uiuc.edu] Dear CCLers, I am trying to estimate Arrhenuis kinetic parameters for a unimolecular reaction from QM calculations. According to Christopher Cramer's "Essentials of Computational Chemistry", the rate constant can be calculated as follows (Eq. 15.28, 1st Ed.): k_rate = kT/h * exp[-dHa / RT] * exp[ dSa / R] where dHa and dSa are the standard enthalpy and the standard entropy of activation, respectively. However, the way it is split into A and Ea of the Arrhenius equation k_rate = A * exp[-Ea / RT] is as follows (Eq. 15.31 and 15.32): Ea = dHa + RT and A = kT/h * exp[1 + dSa/R] whereas a seemingly more intuitive partition would be: Ea = dHa, A = kT/h * exp[dSa/R]. Both ways of partitioning give the same equation for k_rate from the rate theory because the "extra" terms in -(dHa+RT)/RT and (1+dSa/R) cancel out. I apologize if the question is too trivial, but could somebody explain why these extra terms, RT for dHa and R for S, must be added taken into account in calculation of Arrhenius kinetic parameters? Thank you in advance, Dariahttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt From owner-chemistry@ccl.net Wed May 21 17:28:00 2008 From: "Ol Ga eurisco1!^!pochta.ru" To: CCL Subject: CCL: Maximum Force Message-Id: <-37010-080521165559-18195-wfj7sD7Fi0lDGmsq44M44g_-_server.ccl.net> X-Original-From: "Ol Ga" Date: Wed, 21 May 2008 16:55:55 -0400 Sent to CCL by: "Ol Ga" [eurisco1[*]pochta.ru] Dear Ali! You have forgoten polarization p-functions to describe H-bonds. Try LanL2DZ/D95(d,p) with method B3lyp or LanL2DZ/6-31G** with method B3lyp. It is neccesary to add Diffuse basis functions Ol Ga > Dear all > > I hope you are fine. I have a problem in the optimization process. > in fact in this process the maximum force is high and appeare as ***** in the threshold value. i am working in dimer of complex of transition metal with organic ligands which intreact with each other with strong hydrogen bonding. > I use lanl2dz & 6-31G basis sets with B3lyp method. > > Can you help me about this? > > thanks. > > Ali S From owner-chemistry@ccl.net Wed May 21 20:54:01 2008 From: "Christopher Cramer cramer*|*umn.edu" To: CCL Subject: CCL: calculation of Arrhenius kinetic parameters Message-Id: <-37011-080521152416-2532-Eb/uImp1s5tFeD/dUP9sFA * server.ccl.net> X-Original-From: Christopher Cramer Content-Type: multipart/alternative; boundary=Apple-Mail-3--988265420 Date: Wed, 21 May 2008 13:30:52 -0500 Mime-Version: 1.0 (Apple Message framework v753) Sent to CCL by: Christopher Cramer [cramer::umn.edu] --Apple-Mail-3--988265420 Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=US-ASCII; delsp=yes; format=flowed Daria, Well, I suppose that I took the coward's way out (it WAS chapter 15, after all) when I said "simple algebra allows" -- technically there's a wee bit of calculus too, viz. Equating the TST and Arrhenius expressions gives: ( kT / h ) exp ( -delH / RT ) exp ( delS / R ) = A exp ( -Ea / RT ) (where double dagger is implicit on the thermodynamic quantities on the left-hand side) Taking the logarithm of both sides gives: ln ( k ) + ln ( T ) - ln ( h ) - ( delH / RT ) + ( delS / R ) = ln ( A ) - ( Ea / RT ) Now, taking the derivative of each side with respect to T gives: 0 + ( 1 / T ) + 0 + ( delH / RT^2 ) + 0 = 0 + ( Ea / RT^2) Multiply both sides by RT^2 to arrive at RT + delH = Ea To derive the relation between delS and A one merely plugs the above relation into the Arrhenius equation. Best regards, Chris Cramer On May 21, 2008, at 12:30 PM, Daria Khvostichenko dkhvosti|uiuc.edu wrote: > > Sent to CCL by: "Daria Khvostichenko" [dkhvosti_+_uiuc.edu] > Dear CCLers, > > I am trying to estimate Arrhenuis kinetic parameters for a > unimolecular reaction from QM calculations. According to > Christopher Cramer's "Essentials of Computational Chemistry", the > rate constant can be calculated as follows (Eq. 15.28, 1st Ed.): > > k_rate = kT/h * exp[-dHa / RT] * exp[ dSa / R] > > where dHa and dSa are the standard enthalpy and the standard > entropy of activation, respectively. However, the way it is split > into A and Ea of the Arrhenius equation k_rate = A * exp[-Ea / RT] > is as follows (Eq. 15.31 and 15.32): > > Ea = dHa + RT > > and A = kT/h * exp[1 + dSa/R] > > whereas a seemingly more intuitive partition would be: > Ea = dHa, A = kT/h * exp[dSa/R]. > > Both ways of partitioning give the same equation for k_rate from > the rate theory because the "extra" terms in -(dHa+RT)/RT and (1 > +dSa/R) cancel out. > > I apologize if the question is too trivial, but could somebody > explain why these extra terms, RT for dHa and R for S, must be > added taken into account in calculation of Arrhenius kinetic > parameters? > > Thank you in advance, > > Daria > > > > -= This is automatically added to each message by the mailing > script =- > To recover the email address of the author of the message, please > change> Conferences: http://server.ccl.net/chemistry/announcements/ > conferences/ > > Search Messages: http://www.ccl.net/htdig (login: ccl, Password: > search)> > -- Christopher J. Cramer University of Minnesota Department of Chemistry 207 Pleasant St. SE Minneapolis, MN 55455-0431 -------------------------- Phone: (612) 624-0859 || FAX: (612) 626-2006 Mobile: (952) 297-2575 cramer---pollux.chem.umn.edu http://pollux.chem.umn.edu/~cramer (website includes information about the textbook "Essentials of Computational Chemistry: Theories and Models, 2nd Edition") --Apple-Mail-3--988265420 Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset=ISO-8859-1 Daria,

Well, I suppose that I took the coward's way = out (it WAS chapter 15, after all) when I said "simple algebra allows" = -- technically there's a wee bit of calculus too, = viz.

Equating the TST and Arrhenius expressions = gives:

( kT / h ) exp ( -delH / RT ) exp ( delS = / R ) =3D A exp ( -Ea / RT )

(where double = dagger is implicit on the thermodynamic quantities on the left-hand = side)

Taking the logarithm of both sides = gives:

ln ( k ) + ln ( T ) - ln ( h ) - ( delH = / RT ) + ( delS / R ) =3D ln ( A ) - ( Ea / RT = )

Now, taking the derivative of each side with = respect to T gives:

0 + ( 1 / T ) + 0 + ( delH = / RT^2 ) + 0 =3D 0 + ( Ea / RT^2)

Multiply both = sides by RT^2 to arrive at

RT + delH =3D = Ea

To derive the relation between delS and A = one merely plugs the above relation into the Arrhenius = equation.

Best = regards,

Chris = Cramer

On May 21, 2008, at 12:30 PM, = Daria Khvostichenko dkhvosti|uiuc.edu wrote:


Sent to = CCL by: "Daria=A0 = Khvostichenko" [dkhvosti_+_uiuc.edu]
Dear = CCLers,

I am trying to estimate Arrhenuis kinetic parameters = for a unimolecular reaction from QM calculations. According to = Christopher Cramer's "Essentials of Computational Chemistry", the rate = constant can be calculated as follows (Eq. 15.28, 1st Ed.):

k_rate =3D= kT/h * exp[-dHa / RT] * exp[ dSa / R]

where dHa and = dSa are the standard enthalpy and the standard entropy of activation, = respectively. However, the way it is split into A and Ea of the = Arrhenius equation k_rate =3D A * exp[-Ea / RT] is as follows (Eq. 15.31 = and 15.32):

Ea =3D dHa + RT

and A =3D kT/h * exp[1 + = dSa/R]

whereas a seemingly more intuitive partition would = be:
Ea =3D dHa, A =3D kT/h * = exp[dSa/R].

Both ways of partitioning give the same equation for = k_rate from the rate theory because the "extra" terms in -(dHa+RT)/RT = and (1+dSa/R) cancel out.=A0

I apologize = if the question is too trivial, but could somebody explain why these = extra terms, RT for dHa and R for S, must be added taken into account in = calculation of Arrhenius kinetic parameters?

Thank = you in advance,

Daria



-=3D = This is automatically added to each message by the mailing script = =3D-
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If your mail bounces from CCL with 5.7.1 error, = check:




--


=

Christopher J. = Cramer

University of Minnesota

Department of Chemistry

207 Pleasant St. SE

Minneapolis, MN = 55455-0431

--------------------------

Phone:=A0 (612) 624-0859 || FAX:=A0 (612) 626-2006

Mobile: (952) = 297-2575

cramer---pollux.chem.umn.edu<= /font>

http://pollux.chem.umn.edu/~cr= amer

(website = includes information about the textbook "Essentials

=A0 =A0 of Computational = Chemistry:=A0 Theories and = Models, 2nd Edition")


= --Apple-Mail-3--988265420--