Self-Consistent Heats of Formation for the Ethyl Cation, Ethyl Bromide, and Ethyl Iodide from Threshold Photoelectron Photoion Coincidence Spectroscopy

2010 ◽  
Vol 114 (20) ◽  
pp. 6117-6123 ◽  
Author(s):  
Sampada Borkar ◽  
Bálint Sztáray
Keyword(s):  
Ethyl Bromide ◽  
Ethyl Iodide ◽  
Heats Of Formation ◽  
Self Consistent ◽  
Ethyl Cation ◽  
Coincidence Spectroscopy

Kinetics of reaction between 1-lithium-2-isopropyl-o-carborane and ethyl bromide and ethyl iodide

1981 ◽  
Vol 30 (10) ◽  
pp. 1811-1815
Author(s):  
I. S. Savel'eva ◽  
L. N. Kanakhina ◽  
A. V. Kazantsev ◽  
L. I. Zakharkin
Keyword(s):  
Ethyl Bromide ◽  
Ethyl Iodide ◽  
Kinetics Of Reaction ◽  
Kinetics Of

Cohesion, Compound Formation and Phase Diagrams from First Principles

1982 ◽  
Vol 19 ◽  
Author(s):  
A. R. Williams ◽  
C. D. Gelatt ◽  
J. W. D. Connolly ◽  
V. L. Moruzzi
Keyword(s):  
Transition Metal ◽  
Phase Diagrams ◽  
First Principles ◽  
Formation Process ◽  
Energy Band ◽  
Empirical Formula ◽  
Heats Of Formation ◽  
Disordered Materials ◽  
Compound Formation ◽  
Self Consistent

ABSTRACTThe physical picture of cohesion and compound formation provided by parameter-free, self-consistent, energy-band calculations will be described. For transition-metal elements, the calculations allow us to “see” which electrons are holding the solid together and which are holding it apart. For compounds, calculated heats of formation agree well with available measurements and are in general agreement with those given by Miedema's empirical formula. (The agreement with Miedema is paradoxical, in that Miedema's conception of the formation process differs qualitatively from ours.) Preliminary, but very encouraging, results of efforts to extend the analysis to disordered materials and to the calculation of phase diagrams are described.

scholarly journals Fragmentation dynamics of the ethyl bromide and ethyl iodide cations: a velocity-map imaging study

2014 ◽  
Vol 16 (5) ◽  
pp. 2167-2178 ◽  
Author(s):  
Sara H. Gardiner ◽  
Tolga N. V. Karsili ◽  
M. Laura Lipciuc ◽  
Edward Wilman ◽  
Michael N. R. Ashfold ◽  
...  
Keyword(s):  
Imaging Study ◽  
Ethyl Bromide ◽  
Ethyl Iodide ◽  
Velocity Map Imaging ◽  
Fragmentation Dynamics

Heats of Formation of the Propionyl Ion and Radical and 2,3-Pentanedione by Threshold Photoelectron Photoion Coincidence Spectroscopy

2005 ◽  
Vol 109 (5) ◽  
pp. 939-946 ◽  
Author(s):  
James P. Kercher ◽  
Elizabeth A. Fogleman ◽  
Hideya Koizumi ◽  
Bálint Sztáray ◽  
Tomas Baer
Keyword(s):  
Heats Of Formation ◽  
Coincidence Spectroscopy

Heats of formation of some alkylthio radicals

1970 ◽  
Vol 48 (3) ◽  
pp. 395-400 ◽  
Author(s):  
D. H. Fine ◽  
J. B. Westmore
Keyword(s):  
Heats Of Formation ◽  
Dissociation Energies ◽  
Self Consistent

From a comparison of the dissociation energies of carbon–oxygen and carbon–sulfur bonds in alcohols, thioalcohols, ethers, and thioethers, a self-consistent set of values for the heats of formation of the methylthio-, ethylthio-, n-butylthio-, iso-butylthio-, sec-butylthio-, t-butylthio-, phenylthio-, and benzylthio-radicals is derived.

Ab initio self-consistent field calculation of the heats of formation of B2H6 and B2H7

1972 ◽  
Vol 11 (12) ◽  
pp. 3126-3128 ◽  
Author(s):  
John H. Hall ◽  
Dennis S. Marynick ◽  
William N. Lipscomb
Keyword(s):  
Ab Initio ◽  
Heats Of Formation ◽  
Field Calculation ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field
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