DFT study and NBO analysis of the metallotropic shifts in cyclopentadienyl(trimethyl)silane, -germane and -stannane

Journal of Molecular Structure: THEOCHEM

Volumn 763, Issue 1-3, 2006, Pages 21-28

  Nori Shargh, Davood ^a,b   Roohi, Fahimeh ^a   Deyhimi, Farzad ^c   Naeem Abyaneh, Reza ^a  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

^c SHAHID BEHESHTI UNIVERSITY   (Iran)

Author keywords

Ab initio calculations; Cyclopentadienyl; Molecular modeling; Natural bond orbital (NBO)

Indexed keywords

EID: 33748037033     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.01.011     Document Type: Article

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