DYNAMICALLY DEFINED REACTION-PATH (DDRP) METHOD

Authors
BAN MI DOMOTOR G STACHO LL
Citation
Mi. Ban et al., DYNAMICALLY DEFINED REACTION-PATH (DDRP) METHOD, Journal of molecular structure. Theochem, 117, 1994, pp. 29-35
Citations number
23
Categorie Soggetti
Chemistry Physical
Journal title
Journal of molecular structure. Theochem → ACNP
ISSN journal
01661280
Volume
117
Year of publication
1994
Pages
29 - 35
Database
ISI
SICI code
0166-1280(1994)117:<29:DDR(M>2.0.ZU;2-0
Abstract
Brief accounts of the theoretical background of the dynamically define d reaction path (DDRP) method and algorithm are presented. By employin g mathematical functions used for testing reaction path-following algo rithms and by simple chemical examples, applications of the procedure have been illustrated.