Combined Quantum Mechanical and Molecular Mechanical Methods: 712 - Rilegato

Rilegato

ISBN 10: 0841235902 ISBN 13: 9780841235908

Casa editrice: American Chemical Society, 1999

Riassunto

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.

Dettagli dell?edizione

• Editore: American Chemical Society
• Data di pubblicazione: 1999
• Lingua: Inglese
• ISBN 10: 0841235902
• ISBN 13: 9780841235908
• Rilegatura: Copertina rigida
• Numero di pagine: 320
• Redattore: Gao Jiali, Thompson Mark A.
• Contatto del produttore: non disponibile
• Persona responsabile: non disponibile