Theoretical study of the proton affinities of 2‐, 3‐, and 4‐monosubstituted phenolate ions in the gas phase by means of MINDO/3, MNDO, and AM1
- 1 April 1990
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 11 (3) , 269-290
- https://doi.org/10.1002/jcc.540110302
Abstract
No abstract availableKeywords
This publication has 23 references indexed in Scilit:
- Theoretical study of the proton affinities of 2-, 3-, and 4-monosubstituted pyridines in the gas phase by means of MINDO/3, MNDO, and AM1Journal of Computational Chemistry, 1989
- Treatment of hydrogen bonding within CNDO/2 and MINDO/3: CNDO/2H and MINDO/3HInternational Journal of Quantum Chemistry, 1982
- Efficient and accurate calculation of anion proton affinitiesJournal of the American Chemical Society, 1981
- The relationship between substituent-induced energy and charge effects in proton-transfer equilibriumsJournal of the American Chemical Society, 1981
- Molecular orbital treatments of hydrogen bonded systems. 2. Dimers of water and HCNTheoretical Chemistry Accounts, 1980
- A MINDO/3 study of some hydrogen-bonded systemsJournal of the American Chemical Society, 1978
- The relationship between substituent effects on energy and on charge from ab initio molecular orbital theoryJournal of the American Chemical Society, 1977
- The proton affinities of phenolJournal of the American Chemical Society, 1977
- Effects of alkyl groups on acidities and basicities in the gas phase. An ab initio molecular orbital studyAustralian Journal of Chemistry, 1975
- Ab initio molecular orbital calculations on anions. Determination of gas phase aciditiesJournal of the Chemical Society, Chemical Communications, 1974