Nonequilibrium H/D isotope effects from trajectory-based nonadiabatic dynamics

Journal of Physical Chemistry A

Volumn 118, Issue 1, 2014, Pages 152-157

  Spörkel, Lasse ^a   Cui, Ganglong ^a   Koslowski, Axel ^a   Thiel, Walter ^a  

^a MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE CALCULATIONS; EXCITED-STATE PROCESS; EXCITED-STATE PROTON TRANSFER; KINETIC ISOTOPE EFFECTS; NON-ADIABATIC DYNAMICS; RESONANCE-ENHANCED MULTIPHOTON IONIZATION; TEMPERATURE FLUCTUATION; TRANSITION STATE THEORIES;

CARRIER MOBILITY; DYNAMICS; ELECTRONIC STRUCTURE; EXCITED STATES; PHOTOIONIZATION;

ISOTOPES;

7-(2-PYRIDYL)INDOLE; INDOLE DERIVATIVE; PYRIDINE DERIVATIVE;

CHEMICAL STRUCTURE; CHEMISTRY; DEUTERIUM HYDROGEN EXCHANGE; MOLECULAR DYNAMICS; QUANTUM THEORY;

DEUTERIUM EXCHANGE MEASUREMENT; INDOLES; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; PYRIDINES; QUANTUM THEORY;

EID: 84892613884     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp4120749     Document Type: Article

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