Structures and properties of the hydrogen-bond complexes: Theoretical studies for the coupling modes of the pyrazole-imidazole system

Journal of Molecular Structure: THEOCHEM

Volumn 724, Issue 1-3, 2005, Pages 167-172

  Sun, Qiao ^a,b   Li, Zhen ^a,b   Zeng, Xiaoqing ^a,b   Ge, Maofa ^a   Wang, Dianxun ^a  

^a INSTITUTE OF CHEMISTRY   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

DFT method; NBO analysis; Pyrazole imidazole complexes; Stabilization energies

Indexed keywords

EID: 20344389524     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.02.049     Document Type: Article

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