Experimental and ab initio infrared intensities in dimethylether: Atomic polar tensors and atomic charges
Author:
Publisher
Elsevier BV
Subject
Spectroscopy,Instrumentation,Atomic and Molecular Physics, and Optics,Analytical Chemistry
Reference17 articles.
1. Application of self-consistent-field ab initio calculations to organic molecules
2. Bond polar parameters for dimethyl ether from ab initio mo calculations and experimental infrared intensities
3. A model for parametric analysis of the intensities in the infrared spectra
4. Bond polar parameters from integrated infrared intensities
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1. Infrared band strengths and other properties of amorphous and crystalline dimethyl ether;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2020-06
2. Influence of inlet gas composition on dimethyl ether carbonylation and the subsequent hydrogenation of methyl acetate in two-stage ethanol synthesis;New Journal of Chemistry;2016
3. Effects of fluorine-substitution on the molecular properties of dimethyl ethers: A theoretical investigation;Journal of Molecular Structure: THEOCHEM;2007-11
4. Density functional theoretical (DFT) study for the prediction of spectroscopic parameters of ClCCCN;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2006-11
5. Vibrational Intensities: Interpretation and Use for Diagnostic Purposes;Handbook of Vibrational Spectroscopy;2006-08-15
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