Coupled calculation of vibrational frequencies and intensities
Author:
Publisher
Elsevier BV
Subject
Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry
Reference34 articles.
1. Coupled calculation of vibrational frequencies and intensities
2. Coupled calculation of vibrational frequencies and intensities
3. Vibrational assignments for glyoxal, acrolein and butadiene
4. Infrared and Raman Spectra of Polycrystalline Glyoxal
5. Vibrational spectra of glyoxal, monodeuteroglyoxal and dideuteroglyoxal
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2. A quantum-mechanical analysis of trans-acrolein vibrational spectra in the ground S0 and excited T1 and S1 electronic states;Journal of Molecular Structure;2017-05
3. Chemical vapor deposition-prepared sub-nanometer Zr clusters on Pd surfaces: promotion of methane dry reforming;Physical Chemistry Chemical Physics;2016
4. Vibrational and electronic investigations, thermodynamic parameters, HOMO and LUMO analysis on crotonaldehyde by ab initio and DFT methods;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2011-12
5. Quantitative Infrared Intensity Studies of Vapor-Phase Glyoxal, Methylglyoxal, and 2,3-Butanedione (Diacetyl) with Vibrational Assignments;The Journal of Physical Chemistry A;2011-08-11
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