Hydrogen bonding in HCN…HF, HCN…HCl, CH3CN…HF and CH3CN…HC1; an ab initio SCF-MO study
- 1 April 1981
- journal article
- Published by Elsevier in Advances in Molecular Relaxation and Interaction Processes
- Vol. 19 (4) , 227-237
- https://doi.org/10.1016/0378-4487(81)80002-7
Abstract
No abstract availableThis publication has 16 references indexed in Scilit:
- Spectroscopic investigations of hydrogen bonding interactions in the gas phase. III. The identification of the hydrogen-bonded heterodimer (CH 3 ) 3 CCN • • • HF and the determination of its geometry by microwave and infrared spectroscopyProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1980
- Spectroscopic investigations of hydrogen bonding interactions in the gas phase. I. The determination of the geometry, dissociation energy, potential constants and electric dipole moment of the hydrogen-bonded heterodimer HCN • • • HF from its microwave rotational spectrumProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1980
- Spectroscopic investigations of hydrogen bonding interactions in the gas phase. II. The determination of the geometry and potential constants of the hydrogen-bonded heterodimer CH 3 CN • • • HF from its microwave rotational spectrumProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1980
- Hydrogen bonding in Me2O..HC1 and Me2O…HF : an AB initio SCF MO studyAdvances in Molecular Relaxation and Interaction Processes, 1978
- Hydrogen bonding in the vapour phase between water and hydrogen fluoride: the infrared spectrum of the 1:1 complexProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1975
- Theoretical studies of hydrogen-bonded dimers. Complexes involving HF, H2O, NH3, CH1, H2S, PH3, HCN, HNC, HCP, CH2NH, H2CS, H2CO, CH4, CF3,H, C2H2, C2H4, C6H6, F- and H3O+Journal of the American Chemical Society, 1975
- Hydrogen bonding in the gas phase: the infrared spectra of complexes of hydrogen fluoride with hydrogen cyanide and methyl cyanideProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1971
- Gaussian basis functions for use in molecular calculations. Contraction of (12s9p) atomic basis sets for the second row atomsChemical Physics Letters, 1970
- Hydrogen bonding in the vapour phase: an unusual type of infrared bandProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1970
- 79. Hydrogen bonding in gaseous mixtures. Part I. Infrared spectra of ether–hydrogen chloride systemsJournal of the Chemical Society, 1965