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Saddle points of the potential energy surface for HCCF determined by an algebraic approach

✍ Scribed by X. Wang; S. Ding

Book ID
111627504
Publisher
Springer
Year
2004
Tongue
English
Weight
193 KB
Volume
29
Category
Article
ISSN
1434-6060

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using the restricted Hartree᎐Fock 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