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.File in questo prodotto:
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