A Universal Solvation Model Based on Class IV Charges and the Intermediate Neglect of Differential Overlap for the Spectroscopy Molecular Orbital Method
- 26 October 1999
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 104 (11) , 2178-2182
- https://doi.org/10.1021/jp991858h
Abstract
No abstract availableKeywords
This publication has 38 references indexed in Scilit:
- Ethylene Polymerization by Zirconocene CatalysisPublished by American Chemical Society (ACS) ,1999
- Parametrized Model for Aqueous Free Energies of Solvation Using Geometry-Dependent Atomic Surface Tensions with Implicit ElectrostaticsThe Journal of Physical Chemistry B, 1997
- Solvation Model for Chloroform Based on Class IV Atomic ChargesThe Journal of Physical Chemistry B, 1997
- The MIDI! basis set for quantum mechanical calculations of molecular geometries and partial chargesTheoretical Chemistry Accounts, 1996
- A Semiempirical Quantum Mechanical Solvation Model for Solvation Free Energies in All Alkane SolventsThe Journal of Physical Chemistry, 1995
- General Semiempirical Quantum Mechanical Solvation Model for Nonpolar Solvation Free Energies. n-HexadecaneJournal of the American Chemical Society, 1995
- Utility of the semiempirical INDO/1 method for the calculation of the geometries of second-row transition-metal speciesInorganic Chemistry, 1990
- Invited review solvatochromic shifts: The influence of the medium on the energy of electronic statesJournal of Photochemistry and Photobiology A: Chemistry, 1990
- Spectroscopic studies of solute–solvent interactionsChemical Society Reviews, 1976
- New Developments in Molecular Orbital TheoryReviews of Modern Physics, 1951