A comparison between the predictions of vibrational transition moments and force fields using various gaussian basis sets
Author:
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
http://www.tandfonline.com/doi/pdf/10.1080/00268977900101571
Reference27 articles.
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4. Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
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1. Vibrational absorption intensities in chemical analysis—VIII. Dimethyl sulphide;Spectrochimica Acta Part A: Molecular Spectroscopy;1994-05
2. Crystal structure determination of C3Cl + 3 AlCl ? 4 and ab initio studies of the structure and vibrational spectrum of the trichlorocyclopropenium cation;Journal of the Chemical Society, Faraday Transactions;1993
3. Ab initio study of force constants and intensities of 1,3,5-trioxane;Spectrochimica Acta Part A: Molecular Spectroscopy;1991-01
4. Basis set effects and the choice of reference geometry inab initio calculations of vibrational spectra;Journal of Computational Chemistry;1988-07
5. Comparison of STO-3G and 3-21G ab initio harmonic force fields for ethane, propane, dimethyl ether, and cyclobutane: effects of geometry and scaling on calculated frequencies, eigenvectors, and infrared absorption intensities;Canadian Journal of Chemistry;1988-05-01
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