Force constant refinement in cartesian coordinates
- 1 March 1986
- journal article
- Published by Elsevier in Journal of Molecular Structure
- Vol. 142, 21-24
- https://doi.org/10.1016/0022-2860(86)85053-0
Abstract
No abstract availableKeywords
This publication has 6 references indexed in Scilit:
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- Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein, butadiene, formaldehyde, and ethyleneJournal of the American Chemical Society, 1983
- Normal coordinate treatment and force constant refinement in cartesian coordinatesJournal of Molecular Structure: THEOCHEM, 1982
- Coupled calculation of vibrational frequencies and intensitiesTheoretical Chemistry Accounts, 1980
- Normal Coordinates: General Theory, Redundant Coordinates, and General Analysis Using Electronic ComputersThe Journal of Chemical Physics, 1971