Quantum and classical studies of vibrational motion of CH 5 + on a global potential energy surface obtained from a novel ab initio direct dynamics approach

Journal of Chemical Physics

Volumn 121, Issue 9, 2004, Pages 4105-4116

  Brown, Alex ^a,c   McCoy, Anne B ^b   Braams, Bastiaan J ^a   Jin, Zhong ^a   Bowman, Joel M ^a  

^a EMORY UNIVERSITY   (United States)

^b OHIO STATE UNIVERSITY   (United States)

^c UNIVERSITY OF ALBERTA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

DIPOLE MOMENTS; ELECTRONIC ENERGY; HYDROGEN ATOMS; ZERO-POINT ENERGY;

APPROXIMATION THEORY; DATA REDUCTION; ELECTRON TUNNELING; FREQUENCIES; HEAT FLUX; HYDROGEN; ISOMERIZATION; MATHEMATICAL MODELS; MOLECULAR VIBRATIONS; PERTURBATION TECHNIQUES; POLARIZATION; POTENTIAL ENERGY; SPECTROSCOPIC ANALYSIS;

MOLECULAR DYNAMICS;

EID: 4644231843     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1775767     Document Type: Article

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