An ab initio calculation of the intramolecular stretching spectra for the HF dimer and its D‐substituted isotopic species
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.458996
Reference21 articles.
1. An ab initio calculation of the stretching energies for the HF dimer
2. Coupled pair functional study on the hydrogen fluoride dimer. I. Energy surface and characterization of stationary points
3. An analytical six‐dimensional potential energy surface for (HF)2 from ab initio calculations
4. An ab initio semirigid bender calculation of the rotation and trans‐tunneling spectra of (HF)2 and (DF)2
5. On the relationship of normal modes to local modes in molecular vibrations
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1. Mode‐Selective Vibrational‐Tunneling Dynamics in theN=2 Triad of the Hydrogen‐Bonded (HF)2Cluster;Israel Journal of Chemistry;2023-07-31
2. Highly accurate HF dimer ab initio potential energy surface;The Journal of Chemical Physics;2022-04-28
3. Variational analysis of HF dimer tunneling rotational spectra using an ab initio potential energy surface;Journal of Molecular Spectroscopy;2021-05
4. A new full-dimensional ab initio intermolecular potential energy surface and vibrational states for (HF)2 and (DF)2;The Journal of Chemical Physics;2019-04-21
5. Fundamental FH-stretching transition frequencies and oscillator strengths in hydrogen bonded FH complexes;Chemical Physics Letters;2018-01
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