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 |
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Zdroj: | Theoretical Chemistry Accounts: Theory, Computation, & Modeling. Mar2005, Vol. 113 Issue 2, p69-72. 4p. |
Databáze: | Academic Search Ultimate |
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