Exact quantum calculations of the kinetic isotope effect: Cross sections and rate constants for the F+HD reaction and role of tunneling

Journal of Chemical Physics

Volumn 125, Issue 13, 2006, Pages

  De Fazio, Dario ^a,c   Aquilanti, Vincenzo ^a   Cavalli, Simonetta ^a   Aguilar, Antonio ^b   Lucas, Josep M ^b  

^a UNIVERSITY OF PERUGIA   (Italy)

^b UNIVERSITY OF BARCELONA   (Spain)

^c CNR Consiglio Nazionale delle Ricerche   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

COLLISION ENERGY; FLUORINE ATOMS; POTENTIAL ENERGY SURFACES; REACTIVE SCATTERING;

ALGORITHMS; ELECTRON TUNNELING; HYDROGEN; POTENTIAL ENERGY; QUANTUM THEORY; RATE CONSTANTS; REACTION KINETICS; SCATTERING;

ISOTOPES;

EID: 33749469797     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2221695     Document Type: Article

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