𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Optimal methods for calculation of the amount of intermolecular electron transfer

✍ Scribed by Szefczyk, Borys; Sokalski, W. Andrzej; Leszczynski, Jerzy

Book ID
121229166
Publisher
American Institute of Physics
Year
2002
Tongue
English
Weight
347 KB
Volume
117
Category
Article
ISSN
0021-9606

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Calculation of molecule-molecule intermo
Calculation of molecule-molecule intermolecular potentials using electron gas methods
✍ Gregory A. Parker; Richard L. Snow; Russell T. Pack πŸ“‚ Article πŸ“… 1975 πŸ› Elsevier Science 🌐 English βš– 403 KB

A procedure for extending electron gas calculations to rtlo!ecuie-r?lolecuIc interactions is presented which nllo~~s rapid determination of the dependence of intermolecular potentials on all vibration and rotiition coordinates. Results for HP-W aglee well with accurate SCF calculations.