AB initio molecular orbital studies on 1-fluoropropane

Journal of Molecular Structure: THEOCHEM

Volumn 184, Issue 3-4, 1989, Pages 277-288

  Kunttu, Henrik ^a   Raaska, Tuija ^a   Räsänen, Markku ^a  

^a UNIVERSITY OF HELSINKI   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0347906254     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/0166-1280(89)85097-3     Document Type: Article

References (34)

1. Ab initio calculations on hono: Energies, geometries and force fields on different levels of theory
2. Gas-phase 19F and 1H high-resolution n.m.r. spectroscopy: application to the study of unperturbed conformational energies of 1,2-difluoroethane
3. Rotamerization of n-butane in solid neon: Example of a mode specific chemical reaction
4. Light-Induced cis-trans Isomerization of Nitrous Acid Formed by Photolysis of Hydrazoic Acid and Oxygen in Solid Nitrogen
5. Far infrared and low frequency gas phase Raman spectra and conformational stability of the 1-halopropanes
6. The effect of electronegative atoms on the structures of hydrocarbons.ab initio calculations on molecules containing fluorine or (carbonyl) oxygen
7. Infrared induced rotamerization of halogenoalkanes in rare gas matrices and vibrational spectra of the gauche and trans species
8. Theoretical models incorporating electron correlation