Prediction of vibrational spectra by the CNDO/2 force method
Author:
Publisher
Elsevier BV
Subject
Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry
Reference12 articles.
1. Calculation of molecular geometries and force constants from CNDO wavefunctions by the force method
2. Semiempirical calculation of harmonic force constants: CNDO/2 and MINDO/2 study of C2H6, C2H4 and C2H2
3. Prediction of vtbrational spectra by the CNDO/2 force method
4. Prediction of vibrational spectra by the CNDO/2 force method
5. Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules
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