Subject: CCL:Summary: BSSE

From: [email-masked] (Masao Masamura)
Date: Fri, 30 Jun 2000 13:13:12 +0900

Dear Sir:

        My original question is as follow:

Can anyone tell me the recent article and review for BSSE ?

        I receive several answers.

        Thank you.

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The most recent review on this topic i am aware of is the excellent 
and very extensive review by Van Duijneveldt et al., Chem. Rev. 1994, 
94, 1873

best

Ferdinand
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Ferdinand Grozema

Radiation Chemistry Department
Interfaculty Reactor Institute
Delft University of Technology
Mekelweg 15
2629 JB Delft
The Netherlands
Tel: ++31 15 278 3660

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  See for example  the following papers:

   *   State of the art in counterpoise theory
        F.B. van Duijneveldt  et al.
        Chem. Rev. 1994, 94, 1873-1885

   *   Critical evaluation of some computational approaches to the problem of
        basis set superposition errot
        M. Gutowski and G. Chatasinski
        J. Chem. Phys. 1993, 98, 5540-5554

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Dr. R. Sayos
Departament de Quimica Fisica
Centre de Recerca en Quimica Teorica
Universitat de Barcelona
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Phone: 34 / 93 / 4021237
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E-mail:  [email-masked]
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There are many articles that deal with one aspect or the other of BSSE.
To list a few:

-  F.B. van Duijneveldt, J.G.C.M. van Duijneveldt-van de Rijdt, and
   J.H. van Lenthe, Chem. Rev. 94, 1873, 1994 (on counterpoise theory)

-  S. Simon, M. Duran, J.J. Dannenberg, J. Chem. Phys. 105, 1996
   (on geometry optimizations on BSSE-corrected potential energy surfaces).

-  F.B. van Duijneveldt, "Basis Superposition Error"
   in "Molecular Interactions" S. Scheiner (ed.), Wiley (1997)

-  T. van Mourik, A.K. Wilson, K.A. Peterson, D.E. Woon, T.H. Dunning, Jr.,
   Adv. Quant. Chem. 31, 105, 1999 (showing BSSE effects on interaction
   energies, distances, and frequencies).

HTH,

Tanja              
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A good tutorial and review on this topic was written by one of the major
players in the field of BSSE: professor Neil Kestner. it can be found in
Reviews of Computational Chemistry, volume 14, 2000 (Wiley-VCH publication).

The page is 99-132 and the title is Basis Set Superposition Errors: Theory and
Practice.

Kenny

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You will find an excellent recent review by one of the original leaders in the
field of BSSE:

N. R. Kestner and J. E. Combariza, in Reviews in Computational Chemistry, K.
B. Lipkowitz and D. B. Boyd, Eds., Wiley-VCH, New York, 1999, Vol. 13, pp.
99-132.  Basis Set Superposition Errors:  Theory and Practice.

Good luck.

Donald B. Boyd, Ph.D.
Editor, Reviews in Computational Chemistry
        http://chem.iupui.edu/rcc/rcc.html
Editor, Journal of Molecular Graphics and Modelling
        (publication of the ACS COMP division and MGMS)
        http://chem.iupui.edu/~boyd/jmgm.html
Department of Chemistry
Indiana University-Purdue University at Indianapolis
402 North Blackford Street
Indianapolis, Indiana 46202-3274, U.S.A.
Telephone 317-274-6891, FAX 317-274-4701
E-mail [email-masked]
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*************************************************
Ph. D Masao Masamura
Department of Preventive Dentistry
Okayama University Dental School
Shikata-cho 2-5-1, Okayama
Japan
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