From chemistry-request%!at!%ccl.net Wed Nov 19 04:22:17 2003 Received: from ozone.cs.vu.nl (ozone.cs.vu.nl [130.37.24.158]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id hAJ9LiRW019725 for ; Wed, 19 Nov 2003 04:21:45 -0500 Received: from chem.vu.nl (oac17.chem.vu.nl [130.37.31.136]) by ozone.cs.vu.nl with esmtp (Smail #87) id m1AMOWu-000NG7C; Wed, 19 Nov 2003 10:21 +0100 Date: Wed, 19 Nov 2003 10:23:14 +0100 Subject: Re: CCL:energy decomposition method Content-Type: multipart/alternative; boundary=Apple-Mail-6-732281109 Mime-Version: 1.0 (Apple Message framework v552) Cc: chemistry^at^ccl.net To: "Ohyun Kwon" From: Marcel Swart In-Reply-To: Message-Id: <0067D22A-1A72-11D8-84E0-000393AEC93C^at^chem.vu.nl> X-Mailer: Apple Mail (2.552) X-Spam-Status: No, hits=-0.6 required=7.0 tests=EMAIL_ATTRIBUTION,HTML_00_10,IN_REP_TO,MIME_LONG_LINE_QP, QUOTED_EMAIL_TEXT,REPLY_WITH_QUOTES,USER_AGENT_APPLEMAIL version=2.55 X-Spam-Checker-Version: SpamAssassin 2.55 (1.174.2.19-2003-05-19-exp) --Apple-Mail-6-732281109 Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset=WINDOWS-1252; format=flowed One of the strong points of ADF (http://www.scm.com) is its energy=20 decomposition analysis, see also: F.M. Bickelhaupt and E.J. Baerends, "Kohn-Sham Density Functional Theory: Predicting and Understanding=20 Chemistry" In: Rev. Comput. Chem.; Lipkowitz, K. B. and Boyd, D. B., Eds.; Wiley-VCH: New York, 2000, Vol. 15, 1-86. On Tuesday, Nov 18, 2003, at 21:47 Europe/Amsterdam, Tapas Kar wrote: > Dear CCLers; > Would you please give me some information about energy decomposition > method and QM softwares for the energy decomposition analysis? > Thank you very much for your kind attention. > > Yours, > > Tommy Ohyun Kwon, Ph.D > School of Chemistry and Biochemistry > Georgia Institute of Technology > Atlanta Georgia, 30332 > Email: ohyun.kwon^at^chemistry.gatech.edu > > > > To send e-mail to subscribers of CCL put the string CCL: on your=20 > Subject: > line > > Send your subscription/unsubscription requests to:=20 > CHEMISTRY-REQUEST^at^ccl.net > HOME Page: http://www.ccl.net | Jobs Page: http://www.ccl.net/jobs =96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96= =96=96=96=96=96=96=96=96=96=96=96=96 dr. Marcel Swart Organische en Anorganische Chemie Faculteit der Exacte Wetenschappen Vrije Universiteit Amsterdam De Boelelaan 1081 1081 HV Amsterdam The Netherlands F +31-(0)20-4447488 E swart^at^chem.vu.nl W http://go.to/m.swart =96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96= =96=96=96=96=96=96=96=96=96=96=96=96 --Apple-Mail-6-732281109 Content-Transfer-Encoding: quoted-printable Content-Type: text/enriched; charset=WINDOWS-1252 One of the strong points of ADF (http://www.scm.com) is its energy decomposition analysis, see also: F.M. Bickelhaupt and E.J. Baerends, "Kohn-Sham Density Functional Theory: Predicting and Understanding Chemistry" In: Rev. Comput. Chem.; Lipkowitz, K. B. and Boyd, D. B., Eds.; Wiley-VCH: New York, 2000, Vol. 15, 1-86. On Tuesday, Nov 18, 2003, at 21:47 Europe/Amsterdam, Tapas Kar wrote: Dear CCLers; Would you please give me some information about energy decomposition method and QM softwares for the energy decomposition analysis? Thank you very much for your kind attention. Yours, Tommy Ohyun Kwon, Ph.D School of Chemistry and Biochemistry Georgia Institute of Technology Atlanta Georgia, 30332 Email: ohyun.kwon^at^chemistry.gatech.edu To send e-mail to subscribers of CCL put the string CCL: on your Subject: line Send your subscription/unsubscription requests to: CHEMISTRY-REQUEST^at^ccl.net HOME Page: http://www.ccl.net | Jobs Page: http://www.ccl.net/jobs = Helvetica=96=96=96=96=96=96=96=96=96=96= =96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96= =96=96 dr. Marcel Swart Organische en Anorganische Chemie Faculteit der Exacte Wetenschappen Vrije Universiteit Amsterdam De Boelelaan 1081 1081 HV Amsterdam The Netherlands F +31-(0)20-4447488 E swart^at^chem.vu.nl W http://go.to/m.swart =96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96=96= =96=96=96=96=96=96=96=96=96=96=96=96 --Apple-Mail-6-732281109--