Vibrational analysis for the nuclear-electronic orbital method

Journal of Chemical Physics

Volumn 118, Issue 21, 2003, Pages 9489-9496

  Iordanov, Tzvetelin ^a   Hammes Schiffer, Sharon ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; ENTHALPY; ENTROPY; FREE ENERGY; MOLECULAR DYNAMICS; POTENTIAL ENERGY; QUANTUM THEORY; SUBSTITUTION REACTIONS;

GAUSSIAN BASIS FUNCTION; MOLECULAR ORBITAL; NUCLEAR ELECTRONIC ORBITAL METHOD; NUCLEOPHILIC SUBSTITUTION;

MOLECULAR VIBRATIONS;

EID: 0038679585     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1569913     Document Type: Article

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