Ab initio computation of the force field and vibrational frequencies of the H2O·HF hydrogen bonded complex
Author:
Publisher
Elsevier BV
Subject
Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry
Reference23 articles.
1. Existence and molecular properties of a gas-phase, hydrogen-bonded complex between hydrogen fluoride and water established from microwave spectroscopy
2. Hydrogen bonding in the vapour phase between water and hydrogen fluoride: the infrared spectrum of the 1:1 complex
3. Theory of the Hydrogen Bond: Ab Initio Calculations on Hydrogen Fluoride Dimer and the Mixed Water–Hydrogen Fluoride Dimer
4. Molecular orbital calculation of some vibrational properties of the complex between HCN and HF
5. Ab initio calculation of the vibrational force field of the water dimer
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1. Computational study of the rovibrational spectrum of H2O-HF;Journal of Molecular Spectroscopy;2022-02
2. Accurate computation of the normal and reverse complexes between water and hydrogen fluoride;Chemical Physics;1994-09
3. Vibrational Dynamics of the H2O . HF Complex. Potential Energy and Electric Dipole Moment Surfaces;Collection of Czechoslovak Chemical Communications;1993
4. Xα local spin density calculations of the 1:1 hydrogen-bonded complexes formed by water, ammonia, and hydrogen fluoride;Canadian Journal of Chemistry;1990-07-01
5. A method for the separate computation of intermolecular vibrational frequencies with application on the H2O…HF and (H2O)n (n = 2–6) complexes;Chemical Physics;1988-06
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