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.
A direct method for the location of the lowest energy point on a potential surface crossing
β Scribed by Michael J. Bearpark; Michael A. Robb; H. Bernhard Schlegel
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 495 KB
- Volume
- 223
- Category
- Article
- ISSN
- 0009-2614
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