Computational Chemistry: Reviews of Current Trends
Computational Chemistry: Reviews of Current Trends By Jerzy Leszczynski
1998 | 350 Pages | ISBN: 9810237529 | PDF | 18 MB
1998 | 350 Pages | ISBN: 9810237529 | PDF | 18 MB
A presentation of results of developments in the methodologies and applications of computational chemistry methods, adding to the previous two volumes of the series "Computational chemistry - reviews of current trends". The topics covered include fundamentals and applications of multireference Brillouin-Wigner coupled-cluster theory, as well as developments in quantum-chemical modelling of the interaction of solute and solvent. The book also features a review of developments and applications of the model-core-potential method. The application of computational methods to gas-phase chemical reactions is discussed. In particular, stratospheric bromine chemistry and its relationship to depletion of stratospheric ozone is examined by theoretical methods. Also, fundamental phenomena of bonding in gas-phase radical-sulfur compounds are presented. Finally, the book reviews chemistry on the Internet. In addition to a survey of relevant chemistry Internet resources, an overview of the state of Internet application is provided.