ZIB

Treffer pro Seite

Treffer 1 - 1 | 1 Treffer

Alles auswählen Exportieren

Digitale Medien

On the equivalence between the microscopic frictional theory and transition-state theory (1996)

Nagaoka, Masataka ; Yoshida, Naoto ; Yamabe, Tokio

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 60 (1996), S. 287-295

zur Merkliste hinzufügen auf der Merkliste

Details

ISSN: 0020-7608

Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Quelle: Wiley InterScience Backfile Collection 1832-2000

Thema: Chemie und Pharmazie

Notizen: The generalized Langevin equations are presented by considering such microscopic motions of molecules described by the microscopic Hamiltonian whose potential function is quadratic and internal degree of freedom is multidimensional. Considering the long time behavior of the reactive mode, the Grote-Hynes equation has been derived from the generalized Langevin equations. Furthermore, we have proved that solving the Grote-Hynes equation is equivalent to solving the eigenvalue problem for the whole system, and then the Grote-Hynes treatment coincides with the transition-state theory for the whole system. © 1996 John Wiley & Sons, Inc.

Materialart: Digitale Medien

Bibliothek	Standort	Signatur	Band/Heft/Jahr	Verfügbarkeit

Andere fanden auch interessant ...

Artikel (Nationallizenzen)

Treffer 1 - 1 | 1 Treffer