Integrated molecular orbital method with harmonic cap for molecular forces and its application to geometry optimization and the calculation of vibrational frequencies

Journal of Physical Chemistry A

Volumn 102, Issue 11, 1998, Pages 1895-1898

  Corchado, José C ^a   Truhlar, Donald G ^a  

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 11644252525     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9800463     Document Type: Article

References (31)

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31. In fact, the present calculations were carried out with a modofied version of the modular GAUSSRATE code, http://comp.chem.umn.edu/ gaussrate.