Sumário: “...Force field methods -- Electronic structure methods -- Electron correlation methods -- Basis sets -- Density functional methods -- Valence bond methods -- Relativistic methods -- Wave function analysis -- Molecular properties -- Illustrating the concepts -- Optimization techniques -- Statistical mechanics and transition state theory -- Simulation techniques -- Qualitative theories -- Mathematical methods -- Statistics and QSAR....”
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Información biográfica
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Sumário: “...How not to mix mathematics and music -- Bibliography -- Contents of the CD -- Illustration credits -- Index....”