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Computational Chemistry Using the PC, Third Edition takes the reader from a basic mathematical foundation to beginning research-level calculations, avoiding expensive or elaborate software in favor of PC applications. Geared towards an advanced undergraduate or introductory graduate course, this Third Edition has revised and expanded coverage of molecular mechanics, molecular orbital theory, molecular quantum chemistry, and semi-empirical and ab initio molecular orbital approaches.

Chemistry --- Data processing --- Mathematics --- Chimie --- Data processing. --- Mathematics. --- Informatique. --- Mathématiques. --- Chemistry - Data processing --- Chemistry - Mathematics --- Mathématiques.