STO double-zeta SCF wavefunctions for various configurations of the HsO f associate have been computed. Results are discussed and compared with other authors' similar calculations on gaussian bases. An electrostatic picture of the monosolvation of H30+ is proposed as a fairly satisfactory one.

Theoretical investigations on the solvation process. III. STO double-zeta SCF calculations on the hydrated proton H5O2+

CIMIRAGLIA, Renzo;
1973

Abstract

STO double-zeta SCF wavefunctions for various configurations of the HsO f associate have been computed. Results are discussed and compared with other authors' similar calculations on gaussian bases. An electrostatic picture of the monosolvation of H30+ is proposed as a fairly satisfactory one.
1973
G., Alagona; Cimiraglia, Renzo; U., Lamanna
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11392/1808734
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