๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

An Efficient Procedure for Evaluating the Number of Available States within a Variably Defined Reaction Coordinate Framework

โœ Scribed by Klippenstein, Stephen J.

Book ID
125532270
Publisher
American Chemical Society
Year
1994
Tongue
English
Weight
735 KB
Volume
98
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

The evaluation of NE(R) within a variabl
The evaluation of NE(R) within a variably defined reaction coordinate framework
โœ Klippenstein Stephen J. ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 542 KB

A new algorithm is presented for evaluating the microcanonical partition function for transition state dividing surfaces defined in terms of a fmed value for an arbitrarily defined reaction coordinate. The basis of this algorithm involves the formal integration of the momenta for arbitrary quadratic