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ChemPhysChem

Volumn 11, Issue 12, 2010, Pages 2561-2567

The X1s method for accurate bond dissociation energies

(3) Wu, Jianming a Zhang, Igor Ying a Xu, Xin a

a XIAMEN UNIVERSITY (China)

Author keywords

Bond dissociation energy; Density functional calculations; Heat of formation; Neural networks; Thermochemistry

Indexed keywords

BOND STRENGTH (CHEMICAL); DENSITY FUNCTIONAL THEORY; NEURAL NETWORKS; THERMOCHEMISTRY;

BOND DISSOCIATION ENERGIES; COMPUTATIONAL COSTS; DESCRIPTORS; EFFICIENT PREDICTIONS; HEAT OF FORMATION; MEAN ABSOLUTE DEVIATIONS; NETWORK CORRECTIONS;

DISSOCIATION;

EID: 77955856637 PISSN: 14394235 EISSN: 14397641 Source Type: Journal
DOI: 10.1002/cphc.201000273 Document Type: Article

Times cited : (26)

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