Reviews in Computational Chemistry, Volume 18Kenny B. Lipkowitz, Donald B. Boyd John Wiley & Sons, 14 thg 4, 2003 - 384 trang Seit vielen Jahren praxisbewährt! Auch dieser 18. Band der Reihe Reviews in Computational Chemistry gibt Studenten und Forschern einen Einblick in Rechenverfahren, die sie anwenden wollen, ohne daß die theoretischen Grundlagen zu ihrem Arbeitsgebiet gehören. Das methodische Spektrum umfaßt Molecular Modeling, Quantenchemie, CAMD, QSAR, Molekülmechanik und -dynamik. Mit einem Autoren- und einem Stichwortverzeichnis sowie einer ausführlichen Softwareliste, die Hunderte von Programmen, Dienstleistungen und Anbietern umfaßt. |
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| 1 | |
2 The Use of Scoring Functions in Drug Discovery Applications | 41 |
3 Potentials and Algorithms for Incorporating Polarizability in Computer Simulations | 89 |
4 New Developments in the Theoretical Description of ChargeTransfer Reactions in Condensed Phases | 147 |
5 Linear Free Energy Relationships Using Quantum Mechanical Descriptors | 211 |
6 The Development of Computational Chemistry in Germany | 257 |
Appendix Examination of the Employment Environment for Computational Chemistry | 293 |
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| 337 | |
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Reviews in Computational Chemistry, Tập 18 Kenny B. Lipkowitz,Donald B. Boyd Không có bản xem trước - 2002 |
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