Ab initio studies of structural features not easily amenable to experiment
- 1 March 1984
- journal article
- Published by Elsevier in Journal of Molecular Structure: THEOCHEM
- Vol. 108 (1-2) , 121-128
- https://doi.org/10.1016/0166-1280(84)80107-4
Abstract
No abstract availableKeywords
This publication has 14 references indexed in Scilit:
- Ab initio studies of structural features not easily amenable to experimentJournal of Molecular Structure: THEOCHEM, 1983
- Ab initio studies of molecular geometries. 27. Optimized molecular structures and conformational analysis of N.alpha.-acetyl-N-methylalaninamide and comparison with peptide crystal data and empirical calculationsJournal of the American Chemical Society, 1983
- Infrared-induced conformational isomerization of ethylene glycol in a low-temperature argon matrixChemical Physics, 1983
- Molecular orbital constrained electron diffraction studies. 4. Conformational analysis of the methyl ester of glycineJournal of the American Chemical Society, 1982
- Conformation of ethylene glycol from the rotational spectra of the nontunneling O-monodeuterated speciesJournal of Molecular Spectroscopy, 1981
- Theory versus experiment: the case of glycineJournal of the American Chemical Society, 1980
- Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivativesJournal of the American Chemical Society, 1979
- Molecular orbital theory of the electronic structure of organic compounds. XVII. Internal rotation in 1,2-disubstituted ethanesJournal of the American Chemical Society, 1973
- Ab initiocalculation of force constants and equilibrium geometries in polyatomic moleculesMolecular Physics, 1969
- Intra-Molecular Hydrogen Bonds in Ethylene Glycol, Glycerol, and Ethylene Chlorohydrin.Acta Chemica Scandinavica, 1949