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Reviews in Computational Chemistry
Lipkowitz
€ 358.76
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Description for Reviews in Computational Chemistry
Hardcover. Computational chemistry deals with computer-aided molecular research and is increasingly used in conjunction with organic, inorganic, medicinal, biological, physical, and analytical chemistry; biotechnology; materials science; and physics. Editor(s): Boyd, Donald B. Series: Reviews in Computational Chemistry. Num Pages: 432 pages, index. BIC Classification: PDN; PN; UY. Category: (P) Professional & Vocational; (UP) Postgraduate, Research & Scholarly; (UU) Undergraduate. Dimension: 236 x 162 x 28. Weight in Grams: 770.
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.
... Read more
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.
... Read more
Product Details
Format
Hardback
Publication date
1998
Publisher
John Wiley and Sons Ltd United States
Number of pages
432
Condition
New
Series
Reviews in Computational Chemistry
Number of Pages
432
Place of Publication
, United States
ISBN
9780471246718
SKU
V9780471246718
Shipping Time
Usually ships in 7 to 11 working days
Ref
99-50
About Lipkowitz
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.
Reviews for Reviews in Computational Chemistry
“Of interest to this reviewer were the chapters on biomolecular simulations and water calculations. In the chapter by Meirovitch, the difficulties encountered in obtaining the thermodynamic parameters of F (free energy) and S (entropy) are discussed, as well as these.).” (J. Am. Chem. Soc., 1999)