The use of the structural correlation method for the estimation of the quality of ab initio and DFT predictions of geometry parameters of related compounds in the gas phase and in solutions. An example of (O-Si)chelates with ClSiC3O coordination center

Journal of Molecular Structure: THEOCHEM

Volumn 950, Issue 1-3, 2010, Pages 72-78

  Belogolova, E F ^a   Doronina, E P ^a   Belogolov, M A ^b   Sidorkin, V F ^a  

^a A E FAVORSKY IRKUTSK INSTITUTE OF CHEMISTRY   (Russian Federation)

^b Voronezh Institute   (Russian Federation)

Author keywords

Bond order; Pentacoordinated silicon compounds; Quantum chemical calculation; Reaction path; Structural correlation

Indexed keywords

EID: 77954953376     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2010.03.026     Document Type: Article

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