AB initio SCF calculation of the force constants and the dipole moment derivatives in methanol
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference4 articles.
1. A. Serrallach, R. Meyer and Hs.H. Günthard, to be published.
2. Gaussian Lobe Function Expansions of Hartree—Fock Solutions for the First‐Row Atoms and Ethylene
3. Torsion–Vibration–Rotation Interactions in Methanol. I. Millimeter Wave Spectrum
4. The Methyl Alcohol Molecule and Its Microwave Spectrum
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1. Some results of using the CNDO/2 technique in calculations of the IR spectra of polyatomic molecules;Journal of Molecular Structure: THEOCHEM;1992-12
2. Conformational analysis of several aliphatic alcohol molecules by means of PCILO and MNDO methods;Journal of Molecular Structure: THEOCHEM;1986-05
3. Force field calculations of methanol and evaluation of the effect of ions on its stretching vibrations;Journal of Molecular Structure: THEOCHEM;1985-11
4. Ab initio and localised molecular orbital studies of the integrated intensities of infrared absorption bands of polyatomic molecules. Part 5.—Minimal- and extended-basis-set results for the pyramidal AX3series (A = N, P; X = H, F);J. Chem. Soc., Faraday Trans. 2;1981
5. NPE effects in bimolecular elimination;Journal of the American Chemical Society;1981-01
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