Calculation of barriers to proton transfer using a variety of electron correlation methods
- 14 March 1992
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 44 (S26) , 817-835
- https://doi.org/10.1002/qua.560440872
Abstract
No abstract availableKeywords
This publication has 28 references indexed in Scilit:
- The strong hydrogen bond in the formic acid - formate anion systemJournal of the American Chemical Society, 1991
- Entropy barriers to proton transferJournal 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
- The malonaldehyde equilibrium geometry: A major structural shift due to the effects of electron correlationThe Journal of Chemical Physics, 1985
- Molecular orbital study of proton transfer in (H3NHOH2)+The Journal of Physical 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
- The graphical unitary group approach to the electron correlation problem. Methods and preliminary applicationsThe Journal of Chemical Physics, 1979
- SCF-CI studies of the equilibrium structure and the proton transfer barrier H3O 2 ?Theoretical Chemistry Accounts, 1976
- Construction of Some Molecular Orbitals to Be Approximately Invariant for Changes from One Molecule to AnotherReviews of Modern Physics, 1960