Hybrid Methods of Molecular Modeling. Progress in Theoretical Chemistry and Physics, Volume 17. Andrei L. Tchougreeff

ISBN: 9781281861382

Published: June 1st 2008

ebook

359 pages


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Hybrid Methods of Molecular Modeling. Progress in Theoretical Chemistry and Physics, Volume 17.  by  Andrei L. Tchougreeff

Hybrid Methods of Molecular Modeling. Progress in Theoretical Chemistry and Physics, Volume 17. by Andrei L. Tchougreeff
June 1st 2008 | ebook | PDF, EPUB, FB2, DjVu, AUDIO, mp3, ZIP | 359 pages | ISBN: 9781281861382 | 3.70 Mb

Hybrid Methods of Molecular Modeling is a self-contained advanced review offering step by step derivation of the consistent theoretical picture of hybrid modeling methods and the thorough analysis of the concepts and current practical methods ofMoreHybrid Methods of Molecular Modeling is a self-contained advanced review offering step by step derivation of the consistent theoretical picture of hybrid modeling methods and the thorough analysis of the concepts and current practical methods of hybrid modeling based on this theory. Hybrid Methods of Molecular Modeling presents its material in a sequential way paying attention both to the physical soundness of the approximations used and to the mathematical rigor necessary for practical developing of the robust modeling code.

Historical remarks are given when it is necessary to put the current presentation in a more general context and to establish relation with other areas of computational chemistry. The reader should have experience with basic concepts of computational chemistry and/or molecular modeling. Basic knowledge of operators, wave functions, electron densities is necessary.



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