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Determination of the lowest energy point on the crossing seam between two potential surfaces using the energy gradient

✍ Scribed by Nobuaki Koga; Keiji Morokuma

Publisher: Elsevier Science
Year: 1985
Tongue: English
Weight: 281 KB
Volume: 119
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(85)80436-x

No coin nor oath required. For personal study only.

✦ Synopsis

A method is presenkd 10 sarch for the energy minrmum crossing poim bewren IHCI po~mudl surracrs \lxh the ad or Ihe energy gmdiem and rhe optimization method with n conslraint The melhod hns been apphed LO LU'O lou-lying wiplel excited shades or chlorobenzene with the nb iniuo UHF warcfunclion.

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