The molecular orbital constrained electron diffraction (moced) structural model of quadricyclane determined by electron diffraction combined with ab initio calculations of potential and geometrical parameters
- 1 July 1985
- journal article
- Published by Elsevier in Journal of Molecular Structure
- Vol. 129 (3-4) , 299-314
- https://doi.org/10.1016/0022-2860(85)80173-3
Abstract
No abstract availableFunding Information
- North Atlantic Treaty Organization
This publication has 19 references indexed in Scilit:
- Structure determination of gaseous norbornane by electron diffraction, microwave, Raman, and infrared spectroscopy. Molecular mechanics and ab initio calculations with complete geometry relaxationJournal of the American Chemical Society, 1983
- Molecular orbital constrained electron diffraction studies. 4. Conformational analysis of the methyl ester of glycineJournal of the American Chemical Society, 1982
- Ab initiostudies of structural features not easily amenable to experiment. 17. The molecular structures of some strained cyclic hydrocarbons and estimates of their strain energiesJournal of Computational Chemistry, 1982
- Force field, dipole moment derivatives, and vibronic constants of benzene from a combination of experimental and a b i n i t i o quantum chemical informationThe Journal of Chemical Physics, 1981
- Structure determination of 1-butene by gas electron diffraction, microwave spectroscopy, molecular mechanics, and molecular orbital constrained electron diffractionJournal of the American Chemical Society, 1980
- Molecular orbital constrained electron diffraction studies. Conformational behavior of 1,2-dimethylhydrazineJournal of the American Chemical Society, 1979
- Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivativesJournal of the American Chemical Society, 1979
- Procedure and computer programmes for the determination of the structure of gaseous molecules from electron diffraction dataBulletin des Sociétés Chimiques Belges, 1976
- Molecular Structure of Quadricyclane (Tetracyclo[3.2.0.02,7.04,6] heptane) Studied by Gas Electron DiffractionChemistry Letters, 1972
- Ab initiocalculation of force constants and equilibrium geometries in polyatomic moleculesMolecular Physics, 1969