Problem Solving in Computational Molecular Science

Molecules in Different Environments, Nato Science Series C: 500

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Bibliografische Daten
ISBN/EAN: 9789401065061
Sprache: Englisch
Umfang: ix, 416 S.
Auflage: 1. Auflage 1997
Einband: kartoniertes Buch

Beschreibung

InhaltsangabePreface. Molecular Properties in Different Environments; B.T. Sutcliffe. Quantum-Chemical Models; J. Karwowski. Practical ab initio Methods for Molecular Electronic Structure Studies; S. Wilson. Models for Simulating Molecular Properties in Condensed Systems; M. Karelson, G.H.F. Diercksen. On Calculating the Electronic Spectroscopy of Very Large Molecules; M.C. Zerner. Fine and Hyperfine Structure: Spin Properties of Molecules; C. Marian. Molecular Properties and Spectra in Solution; M. Karelson. Molecular Simulation - A Primer; F. Müller-Plathe. Chemical Reactions in Bulk and on Surfaces; R. Nieminen. Semi-Empirical Quantum Chemical Methods; M.C. Zerner. Theoretical Nuclear Magnetic Resonance Studies; J. Gauss. Heterogeneous Catalysis; C.R.A. Catlow.