Accurate prediction of heats of formation by a combined method of B3LYP and neural network correction

Journal of Computational Chemistry

Volumn 30, Issue 9, 2009, Pages 1424-1444

  Wu, Jianming ^a   Xu, Xin ^a  

^a XIAMEN UNIVERSITY   (China)

Author keywords

B3LYP; DFT; Heats of formation; Neural network

Indexed keywords

ACCURATE PREDICTION; B3LYP; COMBINED METHOD; DFT; HEATS OF FORMATION; MEAN ABSOLUTE DEVIATIONS;

PROBABILITY DENSITY FUNCTION;

NEURAL NETWORKS;

EID: 67249160122     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21164     Document Type: Article

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