Calculation of infrared intensities of substituted benzenes by the hmo and cndo methods
Author:
Publisher
Elsevier BV
Subject
Organic Chemistry,Drug Discovery,Biochemistry
Reference19 articles.
1. Calculation of Infrared Intensities by the CNDO Method
2. Vibronic Contribution to the Infrared Intensities of Benzene
3. The calculation of some infra-red intensities
4. Infrared intensities as a quantitative measure of intramolecular interactions. III. Further monosubstituted benzenes and monosubstituted durenes
5. Infrared intensities as a quantitative measure of intramolecular interactions. IV. para-Distribution benzenes. The v16 band near 1600 cm-1
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1. Prediction of Electron Densities, the Respective Laplacians, and Ellipticities in Bond-Critical Points of Phenyl−CH−Bonds via Linear Relations to Parameters of Inherently Localized CD Stretching Vibrations and 1H NMR-Shifts;The Journal of Physical Chemistry A;2009-03-06
2. Integral intensities of the absorption bands of the skeletal vibrations of the heteroaromatic ring in the IR spectra of the furanoquinoline alkaloids;Chemistry of Natural Compounds;1976-03
3. Berechnung der Intensitäten von CH-Valenzschwingungen mit der CNDO/2 Methode;Theoretica Chimica Acta;1974-08
4. The calculation and accurate measurement of infrared band intensities: the v8 and v19 vibrations of monosubstituted benzenes;Journal of Molecular Structure;1973-06
5. Ab Initioand Semiempirical Calculations of the Static Potential for Electron Scattering off the Nitrogen Molecule;The Journal of Chemical Physics;1972-12
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