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Generalization of analytic energy third derivatives for the RHF closed-shell wave function: Derivative energy and integral formalisms and the prediction of vibration–rotation interaction constants
Gaw, Jeffrey F.Volume:
85
Langue:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.451707
Date:
November, 1986
Fichier:
PDF, 993 KB
english, 1986