%0 Journal Article
%T Heat Capacity and Bond Dissociation Energy Calculations of Some Fluorinated Ethanol¡¯s and its Radicals: CH<sub>3-x</sub>CH<sub>2</sub>F<sub>x</sub>OH, CH<sub>3</sub>CH<sub>2-x</sub>F<sub>x</sub>OH
%A Hebah M. Abdel-Wahab
%A Joseph W. Bozzelli
%J Open Journal of Physical Chemistry
%P 13-53
%@ 2162-1977
%D 2021
%I Scientific Research Publishing
%R 10.4236/ojpc.2021.112002
%X Structures and thermochemical properties of these
species were determined by the gaussian M-062x/6-31 + g (d, p) calculation
enthalpies of formation for 19 fluorinated ethanol and some radicals were
calculated with a popular <span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><i></i></span></span></span></span></span></span><i><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><i><span style=\"font-family:Verdana;\">Ab initio</span></i></span></span></span></span></span><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><i><span style=\"font-family:Verdana;\"></span></i></span></span></span></span></span></i><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"> and density functional theory methods: The gaussian
M-062x/6-31</span></span></span></span></span></span><span><span><span><span><span><span style=\"font-family:;\" \"=\"\"> </span></span></span></span></span></span><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\">+ g (d, p) via several series of isodesmic
reactions. Entropies (S298</span></span></span></span></span></span><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\">¡ăK</span></span></span></span></span></span><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"> in Cal</span></span></span></span></span></span><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span style=\"font-family:Verdana;\"><span
%K Thermo-Chemistry
%K Enthalpy
%K Fluorinated Ethanol¡¯s
%K Thermochemical Properties
%U http://www.scirp.org/journal/PaperInformation.aspx?PaperID=107976