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Journal of Chemical Physics

Volumn 136, Issue 3, 2012, Pages

Large-amplitude dynamics in vinyl radical: The role of quantum tunneling as an isomerization mechanism

(3) Sharma, Amit R a,c Bowman, Joel M a Nesbitt, David J b

a EMORY UNIVERSITY (United States)

b UNIVERSITY OF COLORADO (United States)

c ARGONNE NATIONAL LABORATORY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BOLTZMANN EQUATION; CALCULATIONS; CLUSTER ANALYSIS; DISSOCIATION; DYNAMICS; EXCITED STATES; GROUND STATE; HYDRIDES; ISOMERIZATION; ISOMERS; NUMERICAL METHODS; POTENTIAL ENERGY; QUANTUM CHEMISTRY;

AB INITIO POTENTIAL ENERGY SURFACE; BOLTZMANN DISTRIBUTION; COMPLETE BASIS SET LIMIT; COUPLED-CLUSTER SINGLES; PERTURBATIVE TREATMENT; TUNNELING SPLITTINGS; VIBRATIONAL EXCITATION; VIBRATIONAL GROUND STATE;

SPIN DYNAMICS;

FREE RADICAL; VINYL DERIVATIVE;

ALGORITHM; ARTICLE; CHEMISTRY; QUANTUM THEORY; STEREOISOMERISM;

ALGORITHMS; FREE RADICALS; QUANTUM THEORY; STEREOISOMERISM; VINYL COMPOUNDS;

EID: 84856446178 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3666987 Document Type: Article

Times cited : (14)

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