New ab initio potential energy surface for BrH2 and rate constants for the H HBr → H2 Br abstraction reaction

Journal of Chemical Physics

Volumn 134, Issue 11, 2011, Pages

  Jiang, Bin ^a   Xie, Changjian ^a   Xie, Daiqian ^a  

^a NANJING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO POTENTIAL ENERGY SURFACE; ABSTRACTION REACTIONS; ADIABATIC POTENTIALS; BASIS SETS; ELECTRONIC GROUND STATE; EXPERIMENTAL VALUES; GLOBAL POTENTIAL ENERGY SURFACES; GROUND STATE POTENTIAL; INITIAL STATE; MULTI REFERENCE CONFIGURATION INTERACTIONS; SPIN ORBITS; SPIN-ORBIT CORRECTION; TIME-DEPENDENT WAVE PACKET METHOD; TRANSITION STATE;

ABSTRACTING; GROUND STATE; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

RATE CONSTANTS;

EID: 79953173252     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3563750     Document Type: Article

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