A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH4 system

Journal of Chemical Physics

Volumn 142, Issue 20, 2015, Pages

  Li, Jun ^a,b   Chen, Jun ^c   Zhao, Zhiqiang ^c   Xie, Daiqian ^d   Zhang, Dong H ^c   Guo, Hua ^b  

^a CHONGQING UNIVERSITY   (China)

^b UNIVERSITY OF NEW MEXICO   (United States)

^c DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

^d NANJING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ABSTRACTING; MOLECULAR PHYSICS; POTENTIAL ENERGY; QUANTUM CHEMISTRY;

AB INITIO POTENTIAL ENERGY SURFACE; CONFIGURATION SPACE; GLOBAL POTENTIAL ENERGY SURFACES; INVARIANT POLYNOMIALS; PERMUTATIONALLY INVARIANT; QUASICLASSICAL TRAJECTORIES; REACTION PROBABILITY; TRANSITION STATE THEORIES;

POTENTIAL ENERGY SURFACES;

HYDROGEN; METHANE;

CHEMICAL MODEL; CHEMISTRY; KINETICS; PROBABILITY; QUANTUM THEORY;

HYDROGEN; KINETICS; METHANE; MODELS, CHEMICAL; PROBABILITY; QUANTUM THEORY;

EID: 84930666606     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4921412     Document Type: Article

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