A new tool for the rapid estimation of charge distribution
- 1 December 1988
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 9 (8) , 893-904
- https://doi.org/10.1002/jcc.540090811
Abstract
No abstract availableKeywords
This publication has 18 references indexed in Scilit:
- Optimized monopole expansions for the representation of the electrostatic properties of polypeptides and proteinsJournal of Computational Chemistry, 1985
- Optimized monopole expansions for the representation of the electrostatic properties of the nucleic acidsJournal of Computational Chemistry, 1984
- Computer simulation of physical-chemical properties of organic molecules. 1. Molecular system identificationJournal of Chemical Information and Computer Sciences, 1981
- CNDO/2-predicted charge alternationJournal of the American Chemical Society, 1981
- Chemical reactivity and electronic structure of N-methyl derivatives of xanthineJournal of the Chemical Society, Perkin Transactions 2, 1980
- Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional termsJournal of the American Chemical Society, 1977
- Ground states of molecules. XXV. MINDO/3. Improved version of the MINDO semiempirical SCF-MO methodJournal of the American Chemical Society, 1975
- Theoretical studies on the conformations of aldohexopyranose pentaacetatesCarbohydrate Research, 1973
- Charge Distributions of Conjugated MoleculesNature, 1968
- 812. A simple MO–LCAO method for the calculation of charge distributions in saturated organic moleculesJournal of the Chemical Society, 1958