Ab initio study of the barriers to methyl torsion and torsional frequencies of acetyl molecules
Author:
Publisher
Elsevier BV
Subject
Spectroscopy,Instrumentation,Atomic and Molecular Physics, and Optics,Analytical Chemistry
Reference33 articles.
1. Low-Frequency Modes of Molecular Crystals. XXå Acetaldehyde and Acetaldehyde-d4
2. Raman and far infrared spectra, structural parameters, and ab initio calculations on acetyl chloride
3. Low‐Frequency Vibrations of Molecular Solids. XI. Torsional Frequencies and Barriers to Internal Rotation of Some Single Methyl Rotors in the Solid State
4. Analysis of torsional spectra of molecules with two internalC3vrotors. XXIV. High resolution far infrared spectra of acetone‐d0, ‐d3, and ‐d6
5. Far infrared spectrum, barrier to internal rotation, r0 structure, and ab initio calculations for acetyl cyanide
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2. Model Behavior: Characterization of Hydroxyacetone at the Air–Water Interface Using Experimental and Computational Vibrational Sum Frequency Spectroscopy;The Journal of Physical Chemistry A;2018-04-02
3. Improved assignments of the vibrational fundamental modes of ortho-, meta-, and para-xylene using gas- and liquid-phase infrared and Raman spectra combined with ab initio calculations: Quantitative gas-phase infrared spectra for detection;Journal of Molecular Structure;2017-12
4. Quantitative Infrared Absorption Spectra and Vibrational Assignments of Crotonaldehyde and Methyl Vinyl Ketone Using Gas-Phase Mid-Infrared, Far-Infrared, and Liquid Raman Spectra: s-cis vs s-trans Composition Confirmed via Temperature Studies and ab Initio Methods;The Journal of Physical Chemistry A;2017-02-01
5. Assignment of the Fundamental Modes of Hydroxyacetone Using Gas-Phase Infrared, Far-Infrared, Raman, and ab Initio Methods: Band Strengths for Atmospheric Measurements;The Journal of Physical Chemistry A;2016-07-26
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