Ab Initio Calculations and Internal Rotor: Contribution for Thermodynamic Properties S°298 and Cp(T)'s (300 < T/K < 1500): Group Additivity for Fluoroethanes
- 25 August 1998
- journal article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 102 (37) , 7286-7293
- https://doi.org/10.1021/jp980951n
Abstract
No abstract availableThis publication has 17 references indexed in Scilit:
- Computational Study of C−H Bond Strengths in PolyfluoroalkanesThe Journal of Physical Chemistry A, 1997
- Revised Group Additivity Values for Enthalpies of Formation (at 298 K) of Carbon–Hydrogen and Carbon–Hydrogen–Oxygen CompoundsJournal of Physical and Chemical Reference Data, 1996
- BAC-MP4 Predictions of Thermochemical Data for C1 and C2 Stable and Radical Hydrofluorocarbons and Oxidized HydrofluorocarbonsThe Journal of Physical Chemistry, 1996
- Rotational Spectrum of 1,1-Difluoroethane: Internal Rotation Analysis and StructureJournal of Molecular Spectroscopy, 1995
- Thermochemical and chemical kinetic data for fluorinated hydrocarbonsPublished by National Institute of Standards and Technology (NIST) ,1995
- The Stratospheric Fate of CF3OHEnvironmental Science & Technology, 1994
- An ab initio study of the structures, barriers to internal rotation, vibrational frequencies, and thermodynamic functions of 1,1,2-trifluoroethane and 1,1,2,2-tetrafluoroethaneThe Journal of Physical Chemistry, 1994
- Ideal gas thermodynamic properties of six fluoroethanesJournal of Physical and Chemical Reference Data, 1975
- Bond energy additivity and bond interactions in fluoro-halogenated hydrocarbonsJ. Chem. Soc. A, 1968
- Far Infrared Spectrum and the Barrier to Internal Rotation in 1,1,1,2-TetrafluoroethaneThe Journal of Chemical Physics, 1959