Calculation of barriers to proton transfer using variations of multiconfiguration self‐consistent‐field methods. II. Configuration interaction
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.463523
Reference20 articles.
1. Calculation of barriers to proton transfer using multiconfiguration self‐consistent‐field methods. I. Effects of localization
2. Ab initio study of proton transfer in [H3N−H−NH3]+ and [H3N−H−OH2]+
3. Direct dynamics study of intramolecular proton transfer in hydrogenoxalate anion
4. Theoretical study of the short asymmetric [O...H...O] hydrogen bond in solid potassium hydrogen diformate, including electron correlation
5. The strong hydrogen bond in the formic acid - formate anion system
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