FMO-MO Method as an Initial Guess Generation for SCF...

Bulletin of the Chemical Society of Japan 2008 / 02 Vol. 81; Iss. 2

FMO-MO Method as an Initial Guess Generation for SCF Calculation: Case of (−)-Epicatechin Gallate

Tamura, Katsuhiro, Watanabe, Toshio, Ishimoto, Takayoshi, Umeda, Hiroaki, Inadomi, Yuichi, Nagashima, Umpei
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Volume:
81
Language:
english
Journal:
Bulletin of the Chemical Society of Japan
DOI:
10.1246/bcsj.81.254
Date:
February, 2008
File:
PDF, 108 KB
english, 2008
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