Calculation of barriers to proton transfer using variations of multiconfiguration self-consistent-field methods. II. Configuration interaction
Authors:
- 15 November 1992
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 97 (10) , 7519-7527
Abstract
No abstract availableKeywords
This publication has 20 references indexed in Scilit:
- The strong hydrogen bond in the formic acid - formate anion systemJournal of the American Chemical Society, 1991
- Symmetric intramolecular proton transfers between oxygen atoms in anionic systems. An ab initio studyJournal of the American Chemical Society, 1990
- Theoretical studies of proton transfersAccounts of Chemical Research, 1985
- The malonaldehyde equilibrium geometry: A major structural shift due to the effects of electron correlationThe Journal of Chemical Physics, 1985
- Ab initio study of proton transfers including effects of electron correlationInternational Journal of Quantum Chemistry, 1983
- Molecular orbital study of some protonated basesThe Journal of Physical Chemistry, 1982
- Proton transfers in hydrogen-bonded systems. 4. Cationic dimers of ammonia and OH2The Journal of Physical Chemistry, 1982
- Proton transfers in hydrogen-bonded systems. Cationic oligomers of waterJournal of the American Chemical Society, 1981
- The graphical unitary group approach to the electron correlation problem. Methods and preliminary applicationsThe Journal of Chemical Physics, 1979
- Construction of Some Molecular Orbitals to Be Approximately Invariant for Changes from One Molecule to AnotherReviews of Modern Physics, 1960