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PM3-SM3: A general parameterization for including aqueous solvation effects in the PM3 molecular orbital model.

Authors :
Cramer, Christopher J.
Truhlar, Donald G.
Source :
Journal of Computational Chemistry; Nov1992, Vol. 13 Issue 9, p1089-1097, 9p
Publication Year :
1992

Details

Language :
English
ISSN :
01928651
Volume :
13
Issue :
9
Database :
Complementary Index
Journal :
Journal of Computational Chemistry
Publication Type :
Academic Journal
Accession number :
63805720
Full Text :
https://doi.org/10.1002/jcc.540130907