Structure, vibrational frequencies and thermodynamic properties of hydrogen peroxide—water dimers. An ab initio molecular orbital study
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference43 articles.
1. Thermodynamic properties of gas-phase hydrogen-bonded complexes
2. Intermolecular interactions between medium-sized systems. Nonempirical and empirical calculations of interaction energies. Successes and failures
3. Theoretical studies of van der Waals molecules and intermolecular forces
4. Revisiting small clusters of water molecules
5. Extensive theoretical studies of the hydrogen‐bonded complexes (H2O)2, (H2O)2H+, (HF)2, (HF)2H+, F2H−, and (NH3)2
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1. Matrix‐Isolated Hydrogen‐Bonded and Van der Waals Complexes of Hydrogen Peroxide with OCS and CS 2;ChemPhysChem;2012-11-07
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3. Theoretical study on the hydration of hydrogen peroxide in terms of ab initio method and atom-bond electronegativity equalization method fused into molecular mechanics;Frontiers of Chemistry in China;2011-12
4. Theoretical study of the HXYH dimers (X, Y = O, S, Se). Hydrogen bonding and chalcogen–chalcogen interactions;Molecular Physics;2011-11-10
5. Bonding Nature and Vibrational Signatures of Oxirane:(Water)n=1–3. Assessment of the Performance of the Dispersion-Corrected DFT Methods Compared to the ab initio Results and Fourier Transform Infrared Experimental Data;The Journal of Physical Chemistry A;2011-05-23
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