Torsional energy levels and wave functions
- 1 September 1992
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 13 (7) , 874-882
- https://doi.org/10.1002/jcc.540130712
Abstract
No abstract availableKeywords
This publication has 24 references indexed in Scilit:
- Calculations of molecular vibrational frequencies using semiempirical methodsJournal of Computational Chemistry, 1991
- Conformational analysis, barriers to internal rotation, ab initio calculations and vibrational assignment of 1-chloro-2-fluoroethaneThe Journal of Physical Chemistry, 1991
- A simple approximation for the vibrational partition function of a hindered internal rotationJournal of Computational Chemistry, 1991
- Molecular mechanics. The MM3 force field for hydrocarbons. 2. Vibrational frequencies and thermodynamicsJournal of the American Chemical Society, 1989
- Methods for the Fourier-series expansion of torsional energiesJournal of Computational Chemistry, 1989
- Optimization of parameters for semiempirical methods II. ApplicationsJournal of Computational Chemistry, 1989
- A scale of directional substituent polarizability parameters from ab initio calculations of polarizability potentialsJournal of the American Chemical Society, 1986
- Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular modelJournal of the American Chemical Society, 1985
- The barrier to internal rotation in ethaneAccounts of Chemical Research, 1983
- Torsional frequencies in the far infrared—VISpectrochimica Acta Part A: Molecular Spectroscopy, 1970