Encyclopedia of Computational Chemistry
Covers the theory & applications of computational chemistry from the discipline's inception to the present day. Includes ab initio and semiempirical methods, molecular orbital theory, density functional & classical mechanical methods, molecular modeling & dynamics, Monte Carlo simulations, databases, expert systems, synthesis & reaction planning, neural networks, QSAR, and biological and biochemical applications. Online version will be updated yearly.
Location: WALTER Sci/Eng Reference QD39.3 .E46 E53