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.
