Substitution effect on the geometry and electronic structure of the ferrocene

Journal of Computational Chemistry

Volumn 28, Issue 14, 2007, Pages 2260-2274

  Zhang, Guiling ^a,b   Zhang, Hui ^a   Sun, Miao ^a   Liu, Yanhong ^b   Pang, Xiaohong ^b   Yu, Xiaoyang ^a   Liu, Bo ^a   Li, Zesheng ^c  

^a HARBIN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b HARBIN NORMAL UNIVERSITY   (China)

^c JILIN UNIVERSITY   (China)

Author keywords

Ferrocene; Substitution; Theoretical calculation

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; LIGANDS; NUCLEOPHILES; SUBSTITUTION REACTIONS; TOPOLOGY;

ELECTROPHILES; FERROCENES; SUBSTITUENTS; THEORETICAL CALCULATIONS; TOPOLOGICAL ANALYSIS;

SINGLE CRYSTALS;

EID: 34548575217     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20629     Document Type: Article

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