Transition path sampling study of classical rate-promoting vibrations

Journal of Chemical Physics

Volumn 121, Issue 13, 2004, Pages 6442-6447

  Antoniou, Dimitri ^a   Abolfath, Mohammad Ramin ^a,b   Schwartz, Steven D ^a  

^a ALBERT EINSTEIN COLLEGE OF MEDICINE   (United States)

^b NATIONAL RESEARCH COUNCIL CANADA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION FUNCTIONS (CF); LANGEVIN EQUATIONS; QUANTUM TUNNELING; TRANSITION STATE THEORY (TST);

CORRELATION METHODS; DEGREES OF FREEDOM (MECHANICS); ENZYMES; FUNCTIONS; GRAPH THEORY; HARMONIC ANALYSIS; OSCILLATIONS; POTENTIAL ENERGY; PROTONS; QUANTUM THEORY; REACTION KINETICS;

VIBRATIONS (MECHANICAL);

ENZYME;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ENZYME ACTIVATION; PHASE TRANSITION; VIBRATION;

ALGORITHMS; COMPUTER SIMULATION; ENZYME ACTIVATION; ENZYMES; MODELS, CHEMICAL; MODELS, MOLECULAR; PHASE TRANSITION; VIBRATION;

EID: 7044254777     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1782813     Document Type: Article

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