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Difference in the Potential Energy Surfaces from the Fragment MO Method and Conventional Ab Initio SCF-MO Method. A Case of a Surface for Ring Rotation of (−)-Epicatechin Gallate Using the STO-3G Basis Set
Tamura, Katsuhiro, Watanabe, Toshio, Ishimoto, Takayoshi, Nagashima, UmpeiVolume:
80
Language:
english
Journal:
Bulletin of the Chemical Society of Japan
DOI:
10.1246/bcsj.80.1939
Date:
October, 2007
File:
PDF, 196 KB
english, 2007