Gaussian basis sets for CO2 molecule generated with the molecular improved generator coordinate Hartree-Fock method.

Autor: Barreto, M.T.1, Muniz, E.P.1, Jorge, F.E.1 jorge@cce.ufes.br, Cunha, A.G.1
Zdroj: Theoretical Chemistry Accounts: Theory, Computation, & Modeling. Mar2005, Vol. 113 Issue 2, p69-72. 4p.
Databáze: Academic Search Ultimate