Reviews in Computational Chemistry, Volume 12

Name: Reviews in Computational Chemistry, Volume 12
SKU: 3074836
Price: 840.00 NZD
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Hardback

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Reviews in computational chemistry

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Description

VOLUME 12 REVIEWS IN COMPUTATIONAL CHEMISTRY Kenny B. Lipkowitz and Donald B. Boyd HOW DOES ONE COMPUTE FREE ENERGY AND ENTROPY FROM MOLECULAR SIMULATIONS? WHAT HAPPENS WHEN SIMULATIONS ARE RUN WITH CONSTRAINTS? HOW SHOULD SIMULATIONS BE PERFORMED TO MODEL INTERFACIAL PHENOMENA? HOW IS DENSITY FUNCTIONAL THEORY USED TO SIMULATE MATERIALS? WHAT QUANTUM MECHANICAL METHODS SHOULD BE USED TO COMPUTE NONLINEAR OPTICAL PROPERTIES OF MATERIALS? WHICH PARAMETERS ARE MOST INFLUENTIAL IN A MOLECULAR SIMULATION? HOW CAN CRYSTAL STRUCTURES BE PREDICTED? TUTORIALS PROVIDING ANSWERS TO THESE QUESTIONS ARE THE FOCUS OF THIS BOOK. FROM REVIEWS OF THE SERIES "The series continues to be one of the most useful information sources." -JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Author Biography:

Kenny B. Lipkowitz, PhD, is a retired Professor of Chemistry from North Dakota State University. Donald B. Boyd was apponted Research Professor of Chemistry at Indiana University - Purdue University Indianapolis in 1994. He has published over 100 refereed journal papers and book chapters.

Release date NZ

October 12th, 1998

Audiences

Postgraduate, Research & Scholarly
Professional & Vocational
Undergraduate

Contributors

Edited by Donald B. Boyd
Edited by Kenny B. Lipkowitz

Pages

432

Series

Reviews in computational chemistry

Dimensions

163x240x29

ISBN-13

9780471246718

Product ID

3074836

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