Viewpoint 2 — Computer generated predictions of IR and Raman spectra of organic molecules
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference27 articles.
1. AB Initio Vibrational Force Fields
2. Ab initio calculations of vibrational spectra and their use in the identification of unusual molecules
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1. Infrared spectra prediction and potential energy surface studies of methylarsine and methylstibine;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2009-08
2. Potential energy distribution study of infrared frequencies of methylamine and methylphosphine;Journal of Molecular Structure: THEOCHEM;2007-01
3. A theoretical study of methylphosphine CH3PH2 and selected isotopomers: vibrational analysis and infrared spectra;Journal of Molecular Structure: THEOCHEM;2001-08
4. Infrared spectra of some isotopomers of ethylamine and the ethylammonium ion: a theoretical study;Journal of Molecular Structure: THEOCHEM;1999-06
5. Infrared spectra of some isotopomers of isopropylamine: A theoretical study;International Journal of Quantum Chemistry;1999
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