The calculation of molar polarizabilities by the CNDO/2 method: Correlation with the hydrophobic parameter, log P
- 1 March 1989
- journal article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 10 (2), 145-151
- https://doi.org/10.1002/jcc.540100202
Abstract
No abstract availableKeywords
This publication has 14 references indexed in Scilit:
- Molecular orbital calculations on solvents and other small molecules: Correlation between electronic and molecular properties ν, αMOL, π*, and β.Journal of Computational Chemistry, 1987
- Linear Solvation Energy Relationships: 36. Molecular Properties Governing Solubilities of Organic Nonelectrolytes In WaterJournal of Pharmaceutical Sciences, 1986
- Simple method of computing the partition coefficientJournal of Computational Chemistry, 1985
- The relationship between polarizability of polychlorinated biphenyls and their induction of mixed function oxidase activityChemico-Biological Interactions, 1981
- Quantitative structure–activity study of some enzyme‐inhibitory quinazolinesInternational Journal of Quantum Chemistry, 1980
- MINDO/3 calculations of molecular electric polarizabilitiesJournal of the Chemical Society, Chemical Communications, 1974
- Electronic representation of the lipophilic parameter .pi.Journal of Medicinal Chemistry, 1971
- Ground states of .sigma.-bonded molecules. X. Extension of the MINDO/2[modified intermediate negelect of differential overlap/2] method to compounds containing nitrogen and/or oxygenJournal of the American Chemical Society, 1970
- α-Chymotrypsin: A Case Study of Substituent Constants and Regression Analysis in Enzymic Structure—Activity RelationshipsJournal of Pharmaceutical Sciences, 1970
- Comparison of parameters currently used in the study of structure-activity relationshipsJournal of Medicinal Chemistry, 1969