Approaches to charge calculations in molecular mechanics
- 1 September 1982
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 3 (3), 407-416
- https://doi.org/10.1002/jcc.540030316
Abstract
No abstract availableKeywords
This publication has 24 references indexed in Scilit:
- Effect of substituents on the electron densities in methane. .sigma. and .pi. Interactions in saturated systemsJournal of the American Chemical Society, 1980
- Infrared intensities. The methyl halides. Effect of substituents on charge distributionsJournal of the American Chemical Society, 1979
- A method of describing the charge distribution in simple moleculesJournal of the American Chemical Society, 1978
- Determination of partial atomic charges from ab initio molecular electrostatic potentials. Application to formamide, methanol, and formic acidThe Journal of Physical Chemistry, 1978
- Molecular orbital theory of the electronic structure of organic compounds. III. Ab initio studies of charge distribution using a minimal Slater-type basisJournal of the American Chemical Society, 1970
- Molecular orbital theory of the electronic structure of organic compounds. I. Substituent effects and dipole momentsJournal of the American Chemical Society, 1967
- Sur le calcul des caractéristiques du squelette σ des molécules conjuguéesJournal de Chimie Physique et de Physico-Chimie Biologique, 1965
- Criteria for the Construction of Good Self-Consistent-Field Molecular Orbital Wave Functions, and the Significance of LCAO-MO Population AnalysisThe Journal of Chemical Physics, 1962
- The Inductive Effect and Chemical Reactivity. I. General Theory of the Inductive Effect and Application to Electric Dipole Moments of HaloalkanesJournal of the American Chemical Society, 1951
- A New Electroaffinity Scale; Together with Data on Valence States and on Valence Ionization Potentials and Electron AffinitiesThe Journal of Chemical Physics, 1934