Communication: An accurate global potential energy surface for the OH + CO → H + CO2 reaction using neural networks

Journal of Chemical Physics

Volumn 138, Issue 22, 2013, Pages

  Chen, Jun ^a   Xu, Xin ^a,b   Zhang, Dong H ^a  

^a INSTITUTE OF GEOLOGY AND GEOPHYSICS   (China)

^b FUDAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; COMPLEX FORMATIONS; COUPLED CLUSTERS; GLOBAL POTENTIAL ENERGY SURFACES; HO-CO SYSTEM; NUMBER OF DATUM; QUANTUM DYNAMICS CALCULATIONS; REACTION PROBABILITY;

CARBON DIOXIDE; NEURAL NETWORKS; POTENTIAL ENERGY SURFACES;

QUANTUM CHEMISTRY;

EID: 84879112839     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4811109     Document Type: Article

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