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¡¾¾í¡¢Ò³¡¿5 volumes, 3429 p.

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Setting the Standards in Computational Chemistry

The Encyclopedia of Computational Chemistry, a milestone publication in this young and fascinating field. The Encyclopedia comprises over 300 articles written by more than 350 contributors. The publication treats all aspects of computational chemistry including ab initio and semiempirical methods, molecular orbital theory, density functional methods, classical mechanical (force field) techniques, molecular modelling, molecular dynamics and Monte Carlo simulations, databases, expert systems, synthesis planning, reaction planning, artificial methods, neural networks and quantitative structure-activity relationships. Both the methods themselves and important applications are described and comprehensive cross-referencing guides readers to related literature.

Each contribution has been carefully selected and reviewed through the collaborative efforts of the Editors-in-Chief and appropriate members of the Editorial Board.

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