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Reply to comment on molecular mechanics for chemical reactions
- 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