Assessment of the performance of the M05-class and M06-class functionals for the structure and geometry of the hydrogen-bonded and halogen-bonded complexes

Journal of Theoretical and Computational Chemistry

Volumn 11, Issue 6, 2012, Pages 1165-1173

  Zhang, Yu ^a   Ma, Ning ^a   Wang, Weizhou ^a  

^a LUOYANG NORMAL UNIVERSITY   (China)

Author keywords

halogen bonded complexes; hydrogen bonded complexes; M05 class functionals; M06 class functionals; structure and geometry

Indexed keywords

EID: 84871789009     PISSN: 02196336     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0219633612500770     Document Type: Article

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