The isomeric [C2H6O2].cntdot.+ hydrogen-bridged radical cations [CH2-O(H).cntdot..cntdot..cntdot.H.cntdot..cntdot..cntdot.O:CH2].cntdot.+, [CH3-O.cntdot..cntdot..cntdot.H.cntdot..cntdot..cntdot.O:CH2].cntdot.+, and [CH3-O(H).cntdot..cntdot..cntdot.H.cntdot..cntdot..cntdot.O:CH].cntdot.+: theory and experiment

1987 ◽  
Vol 109 (24) ◽  
pp. 7315-7321 ◽  
Author(s):  
Peter C. Burgers ◽  
John L. Holmes ◽  
Cornelis E. C. A. Hop ◽  
Ron Postma ◽  
Paul J. A. Ruttink ◽  
...  
Keyword(s):  
Radical Cations ◽  
Theory And Experiment

ChemInform Abstract: The Isomeric (C2H6O2)·+ Hydrogen-Bridged Radical Cations (CH2-O(H)...H...O=CH2)·+, (CH3-O...H...O=CH2)·+, and (CH3-O(H)...H...O=CH)·+: Theory and Experiment.

ChemInform ◽  
1988 ◽  
Vol 19 (11) ◽  
Author(s):  
P. C. BURGERS ◽  
J. L. HOLMES ◽  
C. E. C. A. HOP ◽  
R. POSTMA ◽  
P. J. A. RUTTINK ◽  
...  
Keyword(s):  
Radical Cations ◽  
Theory And Experiment

Small (Poly)Unsaturated Oxygen Containing Ions and Molecules: A Brief Assessment of Their Thermochemistry Based on Computational Chemistry

2009 ◽  
Vol 15 (2) ◽  
pp. 261-273 ◽  
Author(s):  
John L. Holmes ◽  
Karl J. Jobst ◽  
Johan K. Terlouw
Keyword(s):  
Large Deviations ◽  
Computational Chemistry ◽  
Excellent Agreement ◽  
Radical Cations ◽  
Heat Of Formation ◽  
Heats Of Formation ◽  
Group Additivity ◽  
Neutral Species ◽  
Brief Assessment ◽  
Theory And Experiment

The CBS-QB3, CBS-APNO and Gaussian-3 model chemistries have been used to determine the ionic and neutral heats of formation and the adiabatic ionization energies ( IEa) derived therefrom, for the ca 30 principal isomers of the C3H2O•+ and the C4H4O•+ families of radical cations. Theory and experiment are in excellent agreement for those molecules whose experimental IEa has been accurately measured. In contrast, large deviations from the computed values were found for a great many ionic heats of formation reported in the literature. These deviations largely arise from the uncertainty in the heat of formation of the corresponding neutral species for which often only a rough estimate is available. A useful by-product of this study is that it permits the evaluation of new Benson-type group additivity ( GA) terms appropriate for highly unsaturated oxygen containing molecules. Several new GA terms are proposed but it is also argued that a single GA term for the ketene function cannot be defined.

Electrostatic optics and aberration correction in the 1940s and today

1992 ◽  
Vol 50 (1) ◽  
pp. 6-7
Author(s):  
Gertrude F. Rempfer
Keyword(s):  
Electron Microscope ◽  
Focal Point ◽  
Focal Length ◽  
High Vacuum ◽  
Electron Optics ◽  
Applied Physics ◽  
Electrostatic Lenses ◽  
Commercial Instrument ◽  
The University ◽  
Theory And Experiment

I became involved in electron optics in early 1945, when my husband Robert and I were hired by the Farrand Optical Company. My husband had a mathematics Ph.D.; my degree was in physics. My main responsibilities were connected with the development of an electrostatic electron microscope. Fortunately, my thesis research on thermionic and field emission, in the late 1930s under the direction of Professor Joseph E. Henderson at the University of Washington, provided a foundation for dealing with electron beams, high vacuum, and high voltage.At the Farrand Company my co-workers and I used an electron-optical bench to carry out an extensive series of tests on three-electrode electrostatic lenses, as a function of geometrical and voltage parameters. Our studies enabled us to select optimum designs for the lenses in the electron microscope. We early on discovered that, in general, electron lenses are not “thin” lenses, and that aberrations of focal point and aberrations of focal length are not the same. I found electron optics to be an intriguing blend of theory and experiment. A laboratory version of the electron microscope was built and tested, and a report was given at the December 1947 EMSA meeting. The micrograph in fig. 1 is one of several which were presented at the meeting. This micrograph also appeared on the cover of the January 1949 issue of Journal of Applied Physics. These were exciting times in electron microscopy; it seemed that almost everything that happened was new. Our opportunities to publish were limited to patents because Mr. Farrand envisaged a commercial instrument. Regrettably, a commercial version of our laboratory microscope was not produced.

Electronic properties of TTF-TCNQ : a connection between theory and experiment

1978 ◽  
Vol 39 (12) ◽  
pp. 1355-1363 ◽  
Author(s):  
L.G. Caron ◽  
M. Miljak ◽  
D. Jerome
Keyword(s):  
Electronic Properties ◽  
Theory And Experiment

Multineuronal structures: theory and experiment.

1986 ◽  
Vol 150 (10) ◽  
pp. 321
Author(s):  
V.L. Dunin-Barkovskii
Keyword(s):  
Theory And Experiment
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