using the restricted HartreeαFock RHF method and the STO-3G basis set. Forty-nine minima and saddle points of different indices were found. At least seven stationary points representing bonded structures were detected in addition to those located using another search algorithm on the same level of t
β¦ LIBER β¦
The stability of a method of searching for saddle points
β Scribed by P.A. Dorofeyev
- Publisher
- Elsevier Science
- Year
- 1985
- Weight
- 43 KB
- Volume
- 25
- Category
- Article
- ISSN
- 0041-5553
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