By Andrew R. Leach Useful concepts in molecular modelling Potential energy surfaces An introduction to computational quantum mechanics Hartree-Fock equations Huckel theory ab initio methods, density functional theory and solid-state quantum mechanics Open-shell systems Valence bond theories Density functional theory Quantum mechanical methods for studying the solid state The future role of quantum mechanics Empirical force field models Bond stretching Angle bending non-bonding interactions electrostatic interactions van der waals interactions hydrogen bonding force field models Conformational analysis The use of molecular modelling and chemoinformatics to discover and design new molecules --

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