There are many chemistry software packages in existence today encompassing a variety of theoretical methods and computational techniques. Many of the programs c

This volume presents the current status of software development in the field of computational and theoretical chemistry and gives an overview of the emerging tr

The Chemical Sciences Roundtable provides a forum for discussing chemically related issues affecting government, industry and government. The goal is to strengt

This comprehensive text provides upper-level undergraduates and graduate students with an accessible introduction to the implementation of quantum ideas in mole