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Basis sets applied to the theoretical study of the vibrational structure of hexaaquaaluminum(III) ion

Fed Univ Para; Universidade Estadual Paulista (Unesp); Universidade de São Paulo (USP) (Elsevier B.V., 2004-01-23)

Gaussian basis sets were developed with the Generator Coordinate Hartree-Fock (GCHF) method for the atoms from H (14s), O (23s16p), and Al (29sl9p) in the ground state. These basis sets were then contracted to 3s (12,1,1), ...

Basis sets applied to the theoretical study of the vibrational structure of hexaaquaaluminum(III) ion

Treu, O.; Pinheiro, J. C.; Kondo, R. T. (Elsevier B.V., 2014)

Basis sets applied to the theoretical study of the vibrational structure of hexaaquaaluminum(III) ion

Fed Univ Para; Universidade Estadual Paulista (Unesp); Universidade de São Paulo (USP) (Elsevier B.V., 2004-01-23)

Gaussian basis sets were developed with the Generator Coordinate Hartree-Fock (GCHF) method for the atoms from H (14s), O (23s16p), and Al (29sl9p) in the ground state. These basis sets were then contracted to 3s (12,1,1), ...