1. Vincenzo Barone and Maurizio Cossi
"Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model"
J. Phys. Chem. A, 1998, 102 (11), pp 1995-2001
Код: Выделить всё
http://dx.doi.org/10.1021/jp9716997Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
J. Chem. Phys. 90, 1007 (1989)
Код: Выделить всё
http://dx.doi.org/10.1063/1.456153Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions
J. Chem. Phys. 96, 6796 (1992)
Код: Выделить всё
http://dx.doi.org/10.1063/1.462569Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon
J. Chem. Phys. 98, 1358 (1993)
Код: Выделить всё
http://dx.doi.org/10.1063/1.464303