STRUCTURE DETERMINATION OF TpRu(PPh3){κ2-N, O-NH=C(Ph)N=C(Ph)O}: A STORY OF HOW COMPUTATIONAL STUDIES CONTRIBUTE TO THE STRUCTURAL CHARACTERIZATION PROCESS

Journal of Theoretical and Computational Chemistry

Volumn 8, Issue 3, 2009, Pages 417-422

  Zheng, Wenxu ^a   Leung, Chung Wing ^b   Zhou, Zhongyuan ^b   Lau, Chak Po ^b   Lin, Zhenyang ^a  

^a HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Hong Kong)

^b HONG KONG POLYTECHNIC UNIVERSITY   (Hong Kong)

Author keywords

DFT calculations; Structural determination; Theory versus experiment

Indexed keywords

EID: 68049124868     PISSN: 02196336     EISSN: None     Source Type: Journal    
DOI: 10.1142/S021963360900471X     Document Type: Article

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