Assessing performance of diverse ONIOM methods in calculation of structures of organonickel and organopalladium compounds

Journal of Molecular Structure: THEOCHEM

Volumn 757, Issue 1-3, 2005, Pages 69-76

  Li, Zhe ^a   Liu, Lei ^a   Fu, Yao ^a   Guo, Qing Xiang ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

Density functional; ECP basis set; ONIOM; Organonickel; Organopalladium

Indexed keywords

EID: 28844503471     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.07.014     Document Type: Article

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