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I.A theoretical investigation of the charge transfer process in alkali-atom alkali-ion collisions. II. Ab initio effective potentials for use in molecular calculationsMelius, Carl Frederick. Goddard, William A., January 1973 (has links)
Thesis (Ph. D.)--California Institute of Technology, 1973. UM #73-31,051. / Advisor names found in the Acknowledgments pages of the thesis. Title from home page. Viewed 02/09/10. Includes bibliographical references.
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An ab initio study of the energetics and reactivities of ion-molecule systems using the SCF and CI approximationsCobb, Michael Gregory 05 1900 (has links)
No description available.
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Charge-transfer collisions of hydrogen atomic and molecular ions, nitrogen atomic and molecular ions, and noble gas ions with Cs vapor in the energy range 1-200 keVMeyer, Friedemann Wolfgang, January 1976 (has links)
Thesis--Wisconsin. / Vita. Includes bibliographical references (leaves 162-165).
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Spectroscopy and structure of jet cooled aromatics and van der Waals complexesWalters, Alan January 1991 (has links)
No description available.
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Hybrid inorganic-organic, organic charge transfer, and radical based compounds with chalcofulvalene donors and organic acceptorsReinheimer, Eric Wade 15 May 2009 (has links)
The primary focus of this dissertation is the electrochemical preparation of radical
cation salts utilizing the donor o-4,4’-dimethyltetrathiafulvalene (o-Me2TTF) and
spherical, tetrahedral, octahedral, bimetallic, cyanometallate, and polyoxometallate
anions. Other donors, such as tetramethyl(tetraselenafulvalene) (TMTSF),
tetramethyl(tetrathiafulvalene) (TMTTF), bis(ethylenedithio)tetrathiafulvalene (BEDTTTF
or ET), and bis(propylenedithio)tetrathiafulvalene (BPDT-TTF or PT) also found
use in the preparation of salts in the course of this study. X-ray structural
characterization of these salts revealed stacking between donor molecules containing
significant S•••S interactions in the solid state. Various salts were subjected to either
conductivity or molecular magnetism measurements in order to determine the level of
itinerant electron density and magnetic contribution from paramagnetic charge
compensating anions. In order to expand the library of TTF-containing hybrid materials
prepared through metathesis, salts of other tetrathiafulvalenium radicals have also been
prepared and characterized crystallographically and by select spectroscopic methods. In an effort to gain further information on formation of organic charge transfer
complexes, TTF was combined with nitrofluorenone family of acceptors as well as the
organocyanide acceptors HAT-(CN)6 (HAT-(CN)6 = 1,4,5,8,9,12-hexaazatriphenylenehexacarbonitrile)
and TCNB (TCNB = 1,2,4,5-tetracyanobenzene). The complexes were
characterized using X-ray crystallography, infrared spectroscopy, and molecular
magnetism. All of these techniques showed that all compounds underwent little to no
charge transfer.
Commencing in 2003, the combined work of Dunbar and Omary revealed that
systems combining inorganic donors with chelating, sulfur-based ligands and organic
acceptors could have their spectroscopic response tuned to display low-energy charge
transfer bands extending into the near-IR making them suitable candidates as
photosensitizing dyes for semiconductors. In keeping with this idea, new layered charge
transfer compounds combining the nitrofluorenone family of acceptors and the inorganic
donor Pt(dbbpy)(tdt) (tdt = 3,4-toluenedithiolate) were prepared. The resulting
complexes were characterized utilizing X-ray crystallography as well as both
spectroscopic and electrochemical methods. Similar analyses were also conducted on
various platinum/terpyridine salts and illustrated a level of spectroscopic tunability to that
observed for the supramolcular systems composed of inorganic donors and organic
acceptors.
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Charge transfer through a B-DNA molecule / Charge transfer through a B-type DNA moleculeIgram, Dale James 03 May 2014 (has links)
Access to abstract restricted until 05/2016. / Access to thesis restricted until 05/2016. / Department of Physics and Astronomy
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Charge transfer states in substituted benzenes and naphthalenes : a study in a supersonic jet in solution and by ab initio calculations /Jiang, Shuo. January 2000 (has links)
Thesis (Ph. D.)--University of Chicago, Dept. of Chemistry, March 2000. / Includes bibliographical references. Also available on the Internet.
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Photophysics, electronic structure and picosecond excited-state dynamics of boron-nitrogen-bridged ferrocene-donor organic-acceptor charge-transfer compoundsThomson, Mark David. January 1900 (has links) (PDF)
Frankfurt (Main), Univ., Diss., 2004. / Computerdatei im Fernzugriff.
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Electrochemical rate measurements for the reduction of tert-nitrobuutane and relation to modern electron transfer theoryCorrigan, Dennis Arthur. January 1979 (has links)
Thesis (Ph. D.)--University of Wisconsin--Madison, 1979. / Typescript. Vita. eContent provider-neutral record in process. Description based on print version record. Includes bibliographical references (leaves 180-187).
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Photophysics, electronic structure and picosecond excited-state dynamics of boron-nitrogen-bridged ferrocene-donor organic-acceptor charge-transfer compoundsThomson, Mark David. January 1900 (has links) (PDF)
Frankfurt (Main), University, Diss., 2004.
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