Synopsis
Quantum chemistry forms the basis of molecular modelling, a tool widely used to obtain important chemical information and visual images of molecular systems. Recent advances in computing have resulted in considerable developments in molecular modeling and these developments have led to significant achievements in the design and synthesis of drugs and catalysts. This up-to-date and comprehensive text provides an accessible introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations. Written in a straightforward and accessible manner, Computational Quantum Chemistry provides a current account of a subject that has expanded enormously over the past decade.
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