Time dependent quantum dynamics study of the Ne + H2 +(v 0 = 0-4, j 0 = 1) → NeH+ + H proton transfer reaction, including the coriolis coupling. A system with oscillatory cross sections

Journal of Physical Chemistry A

Volumn 115, Issue 42, 2011, Pages 11525-11530

  Gamallo, Pablo ^a   Defazio, Paolo ^b   González, Miguel ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

^b CNR Consiglio Nazionale delle Ricerche   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO POTENTIAL ENERGY SURFACE; CENTRIFUGAL SUDDEN; COLLISION ENERGIES; CORIOLIS COUPLING; CROSS SECTION; OSCILLATORY BEHAVIORS; PARTIAL WAVES; PROTON TRANSFER REACTIONS; QUANTITATIVE DESCRIPTION; REACTION CONDITIONS; REACTION CROSS-SECTIONS; REACTION PROBABILITY; THRESHOLD ENERGY; TIME DEPENDENT; TIME-DEPENDENT QUANTUM DYNAMICS; VIBRATIONAL LEVELS; WAVE-PACKET METHOD;

CENTRIFUGATION; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; RESONANCE;

PROTON TRANSFER;

EID: 80054907032     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp206565n     Document Type: Article

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