An ab initio semirigid bender calculation of the rotation and trans‐tunneling spectra of (HF)2 and (DF)2-Reference-Cited by-同舟云学术

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An ab initio semirigid bender calculation of the rotation and trans‐tunneling spectra of (HF)2 and (DF)2

Published:1989-11 Issue:9 Volume:91 Page:5154-5159
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Bunker P. R.,Carrington Tucker,Gomez P. C.,Marshall Mark D.,Kofranek Manfred,Lischka Hans,Karpfen Alfred

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.457613

Reference14 articles.

1. Coupled pair functional study on the hydrogen fluoride dimer. I. Energy surface and characterization of stationary points

2. An analytical six‐dimensional potential energy surface for (HF)2 from ab initio calculations

3. The vibration-rotation problem in triatomic molecules allowing for a large-amplitude bending vibration

4. The bending-rotation Hamiltonian for the triatomic molecule and application to HCN and H2O

5. The rigid bender and semirigid bender models for the rotation-vibration Hamiltonian

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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. Energetics and Predissociation Dynamics of Small Water, HCl, and Mixed HCl–Water Clusters;Chemical Reviews;2016-02-03

3. The vibration–rotation–tunneling spectrum of the polar and T-shaped-N-in isomers of (NNO)2;Journal of Molecular Spectroscopy;2011-07

4. Vibrational energy levels of CH5+;The Journal of Chemical Physics;2008-12-21

5. High Resolution FTIR and Diode Laser Supersonic Jet Spectroscopy of the N = 2 HF Stretching Polyad in (HF)2 and (HFDF): Hydrogen Bond Switching and Predissociation Dynamics;Zeitschrift für Physikalische Chemie;2007-12-01

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