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

Autor: Belogolova, E.F.1, Doronina, E.P.1, Belogolov, M.A.2, Sidorkin, V.F.1 svf@irioch.irk.ru
Zdroj: Journal of Molecular Structure: THEOCHEM. Jun2010, Vol. 950 Issue 1-3, p72-78. 7p.
Databáze: Academic Search Ultimate
Externí odkaz: