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Reply to comment on molecular mechanics for chemical reactions

Authors :
Truhlar, Donald G.
Source :
Journal of Physical Chemistry A. May 16, 2002, Vol. 106 Issue 19, p5048, 3 p.
Publication Year :
2002

Abstract

In reply to Jan Florian's comment, it is noted that some methods actually use quantum mechanical valence bond formulas in detail, whereas other methods simply use the concept of configuration interaction with diagonal matrix elements corresponding to states with definite bonding charact er.

Details

Language :
English
ISSN :
10895639
Volume :
106
Issue :
19
Database :
Gale General OneFile
Journal :
Journal of Physical Chemistry A
Publication Type :
Academic Journal
Accession number :
edsgcl.123994195