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Reviews in Computational Chemistry, Volume 12

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Wiley-VCH


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Reviews in Computational Chemistry

Paru le : 2009-09-22

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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
Pages
432 pages
Collection
Reviews in Computational Chemistry
Parution
2009-09-22
Marque
Wiley-VCH
EAN papier
9780471246718
EAN PDF
9780470126165
Informations sur l'ebook
Nombre pages copiables
0
Nombre pages imprimables
432
Taille du fichier
23255 Ko
Prix
333,33 €

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