Correlation effects on hydrogen-bond potentials. SCF Cl calculations for the systems HF−2 and H3O−2
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference19 articles.
1. Correlation effects on energy curves for proton transfer. The cation [H5O2]+
2. G. Karlstrom, H. Wennerstrom, B. Jönsson, S. Forsen, J. Almlof and B. Roos, J. Amer. Chem. Soc., in press.
3. A new method for large-scale Cl calculations
4. Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First‐Row Atoms
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1. A Global Analytical Representation of the Potential Energy Surface of the FHF– Anion;The Journal of Physical Chemistry A;2016-07-21
2. FHF– Isotopologues: Highly Anharmonic Hydrogen-Bonded Systems with Strong Coriolis Interaction;The Journal of Physical Chemistry A;2013-03-04
3. Localized electronic excitation in a hydrogen bond;International Journal of Quantum Chemistry;2009-06-19
4. Anharmonic vibrational frequencies and vibrationally averaged structures and nuclear magnetic resonance parameters of FHF−;The Journal of Chemical Physics;2008-06-07
5. Comparison of the Proton Transfer Path in Hydrogen Bonds from Theoretical Potential Energy Surfaces and the Concept of Conservation of Bond Order;Zeitschrift für Physikalische Chemie;2006-07
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