A gradient-only algorithm for tracing a reaction path...

A gradient-only algorithm for tracing a reaction path uphill to the saddle of a potential energy surface

Wolfgang Quapp
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Volume:
253
Year:
1996
Language:
english
Pages:
7
DOI:
10.1016/0009-2614(96)00255-2
File:
PDF, 493 KB
english, 1996
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