Methane dissociation on Ni(111): A fifteen-dimensional potential energy surface using neural network method

Journal of Chemical Physics

Volumn 143, Issue 14, 2015, Pages

  Shen, Xiangjian ^a   Chen, Jun ^a   Zhang, Zhaojun ^a   Shao, Kejie ^a   Zhang, Dong H ^a  

^a DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; GROUND STATE; MEAN SQUARE ERROR; MOLECULAR PHYSICS; NICKEL COMPOUNDS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

AB INITIO DENSITY FUNCTIONAL THEORIES (DFT); ACTIVATION BARRIERS; NEURAL NETWORK (NN); NEURAL NETWORK METHOD; ROOT MEAN SQUARE ERRORS; STICKING PROBABILITY; SUDDEN APPROXIMATION; SURFACE TEMPERATURES;

NEURAL NETWORKS;

EID: 84943782621     PISSN: 00219606     EISSN: 10897690     Source Type: Journal    
DOI: 10.1063/1.4932226     Document Type: Article

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