Reviews in Computational Chemistry, Volume 18

ISBN-13: 9780471215769 / Angielski / Twarda / 2002 / 384 str.

Kenny B. Lipkowitz; Donald B. Boyd

Opis

This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics covered in Volume 18 include molecular modeling, computer-assisted molecular design (camd), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (qsar).

Recenzje

"...I recommend this book. Anyone interest in computational chemistry should browse through it and may well end up reading most of it." ( Journal of the American Chemical Society, Vol. 125, No. 22, 2003)

Spis treści

Clustering Methods and Their Uses in Computational Chemistry (Geoff M. Downs and John M. Barnard).

The Use of Scoring Functions in Drug Discovery Applications (Hans–Joachim Böhm and Martin Stahl).

Potentials and Algorithms for Incorporating Polarizability in Computer Simulations (Steven W. Rick and Steven J. Stuart).

New Developments in the Theoretical Description of Charge–Transfer Reactions in Condensed Phases (Dmitry V. Matyushov and Gregory A. Voth).

Linear Free Energy Relationships Using Quantum Mechanical Descriptors (George R. Famini and Leland Y. Wilson).

The Development of Computational Chemistry in Germany (Sigrid D. Peyerimhoff).

Appendix. Examination of the Employment Environment for Computational Chemistry (Donald B. Boyd and Kenny B. Lipkowitz).

Author Index.

Subject Index.

Blurb

This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics covered in volume 18 include molecular modeling, computer–assisted molecular design (camd), quantum chemistry, molecular mechanics and dynamics, and quantitative structure–activity relationships (qsar).

FROM REVIEWS OF THE SERIES

"Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry."
–JOURNAL OF MOLECULAR GRAPHICS AND MODELLING

"One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)."
–JOURNAL OF THE AMERICAN CHEMICAL SOCIETY