Combined Quantum Mechanical and Molecular Mechanical Methods - Couverture rigide

 
9780841235908: Combined Quantum Mechanical and Molecular Mechanical Methods
Couverture rigide
ISBN 10 : 0841235902 ISBN 13 : 9780841235908
Editeur : American Chemical Society, 1999

Synopsis

Combined quantum mechanical and molecular mechanical methods (QM/MM) are one of the most promising approaches for quantum mechanical calculations of chemical processes in solution and in enzymes. In such a method a relatively small part of the system (e.g. the solute) is analysed through quantum mechanics and the remainder (e.g. the solvent) is represented through molecular mechanics, thus combining the accuracy of one method with the efficiency of the other. This book provides an in-depth survey of the methods and their applications in chemistry and biochemistry.

Les informations fournies dans la section « Synopsis » peuvent faire référence à une autre édition de ce titre.

Présentation de l'éditeur

Combined quantum mechanical and molecular mechanical methods (QM/MM) are one of the most promising approaches for quantum mechanical calculations of chemical processes in solution and in enzymes. In such a method a relatively small part of the system (e.g. the solute) is analysed through quantum mechanics and the remainder (e.g. the solvent) is represented through molecular mechanics, thus combining the accuracy of one method with the efficiency of the other. This book provides an in-depth survey of the methods and their applications in chemistry and biochemistry.

Les informations fournies dans la section « A propos du livre » peuvent faire référence à une autre édition de ce titre.

Éditeur
American Chemical Society
Date d'édition
1999
Langue
anglais
ISBN 10 
0841235902
ISBN 13 
9780841235908
Reliure
Relié
Nombre de pages
320
Éditeur
Gao Jiali, Thompson Mark A.
Coordonnées du fabricant
non disponible
Personne responsable
non disponible