Molecular orbital calculations on solvents and other small molecules: Correlation between electronic and molecular properties ν, αMOL, π*, and β.
- 1 December 1987
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 8 (8) , 1084-1089
- https://doi.org/10.1002/jcc.540080803
Abstract
No abstract availableKeywords
This publication has 11 references indexed in Scilit:
- Studies on amphiprotic compounds. 2. Experimental determination of the hydrogen bond acceptor basicities of monomeric alcoholsThe Journal of Organic Chemistry, 1985
- Linear solvation energy relationships. 23. A comprehensive collection of the solvatochromic parameters, .pi.*, .alpha., and .beta., and some methods for simplifying the generalized solvatochromic equationThe Journal of Organic Chemistry, 1983
- Linear solvation energy relationships. 16. Dipole/dipole contributions to formation constants of some "hydrogen bonded complexes"The Journal of Organic Chemistry, 1982
- Quantitative structure–activity study of some enzyme‐inhibitory quinazolinesInternational Journal of Quantum Chemistry, 1980
- Regarding a generalized scale of solvent polaritiesJournal 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
- Statistical thermodynamic consideration of solvent effects on conformational stability. Supermolecule-continuum modelThe Journal of Physical Chemistry, 1974
- Theoretical study of solvent effects on the conformational stability of acetylcholineJournal of the American Chemical Society, 1974
- Atom dipole interaction model for molecular polarizability. Application to polyatomic molecules and determination of atom polarizabilitiesJournal of the American Chemical Society, 1972
- Theory of Substitution in Conjugated MoleculesBulletin of the Chemical Society of Japan, 1954