Téléchargez le livre : Reviews in Computational Chemistry, Volume 12

Donald B. Boyd , Kenny B. Lipkowitz

Reviews in Computational Chemistry, Volume 12

Wiley-VCH

Collection : Reviews in Computational Chemistry

Date de publication : 2009-09-22

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
333,33 €

Ce livre est accessible aux handicaps Voir les informations d'accessibilité

Description du livre

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

À propos

Auteur
Donald B.  Boyd , Kenny B.  Lipkowitz
Éditeur
Wiley-VCH
Collection
Reviews in Computational Chemistry
Parution
2009-09-22
Pages
432 pages
EAN papier
9780471246718

Auteur(s) du livre


Defaut-Illustration Donald B. Boyd
Defaut-Illustration Kenny B. Lipkowitz

Caractéristiques détaillées - droits

EAN PDF
9780470126165
Prix
333,33 €
Nombre pages copiables
0
Nombre pages imprimables
432
Taille du fichier
23255 Ko
Ce livre est accessible aux handicaps Voir les informations sur l'accessibilité

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