Ab initio study of proton transfers including effects of electron correlation-Reference-Cited by-同舟云学术

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Ab initio study of proton transfers including effects of electron correlation

Published:1983-02 Issue:2 Volume:23 Page:739-751
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Scheiner Steve,Szcz??l?niak Malgorzata M.,Bigham Larry D.

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Reference17 articles.

1. SCF-CI studies of the equilibrium structure and the proton transfer barrier H3O 2 ?

2. Correlation effects on energy curves for proton transfer. The cation [H5O2]+

3. Correlation effects on hydrogen-bond potentials. SCF Cl calculations for the systems HF−2 and H3O−2

4. Theoretical study of SN2 reactions. Ab initio computations on HF and CI level

5. Correlation effects on barriers to proton transfer in intramolecular hydrogen bonds. The enol tautomer of malondialdehyde studied by ab initio SCF-CI calculations

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