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Lipkowitz, Kenneth B.

Reviews in Computational Chemistry

Lipkowitz, Kenneth B. - Reviews in Computational Chemistry, ebook

253,00€

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ISBN: 9780470126165
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Printing30 pages with an additional page accrued every day, capped at 30 pages
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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(s)
 
Publisher
John Wiley and Sons, Inc.
Publication year
1998
Language
en
Edition
1
Series
Reviews in Computational Chemistry
Category
Natural Sciences
Format
Ebook
eISBN (PDF)
9780470126165
Printed ISBN
9780471246718

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