Comment "On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states"

Authors
Quapp, W
Citation
W. Quapp, Comment "On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states", J COMPUT CH, 22(5), 2001, pp. 537-540
Citations number
20
Categorie Soggetti
Chemistry
Journal title
JOURNAL OF COMPUTATIONAL CHEMISTRY
ISSN journal
01928651 → ACNP
Volume
22
Issue
5
Year of publication
2001
Pages
537 - 540
Database
ISI
SICI code
0192-8651(20010415)22:5<537:C"TQRP>2.0.ZU;2-9
Abstract
The difference is explained between steepest ascent and following a reduced gradient (distinguished coordinate method) for the location of saddle poin ts. (C) 2001 John Wiley & Sons, Inc.