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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
1

I.A theoretical investigation of the charge transfer process in alkali-atom alkali-ion collisions. II. Ab initio effective potentials for use in molecular calculations

Melius, 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.
2

An ab initio study of the energetics and reactivities of ion-molecule systems using the SCF and CI approximations

Cobb, Michael Gregory 05 1900 (has links)
No description available.
3

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 keV

Meyer, Friedemann Wolfgang, January 1976 (has links)
Thesis--Wisconsin. / Vita. Includes bibliographical references (leaves 162-165).
4

Spectroscopy and structure of jet cooled aromatics and van der Waals complexes

Walters, Alan January 1991 (has links)
No description available.
5

Hybrid inorganic-organic, organic charge transfer, and radical based compounds with chalcofulvalene donors and organic acceptors

Reinheimer, 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.
6

Charge transfer through a B-DNA molecule / Charge transfer through a B-type DNA molecule

Igram, 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
7

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.
8

Photophysics, electronic structure and picosecond excited-state dynamics of boron-nitrogen-bridged ferrocene-donor organic-acceptor charge-transfer compounds

Thomson, Mark David. January 1900 (has links) (PDF)
Frankfurt (Main), Univ., Diss., 2004. / Computerdatei im Fernzugriff.
9

Electrochemical rate measurements for the reduction of tert-nitrobuutane and relation to modern electron transfer theory

Corrigan, 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).
10

Photophysics, electronic structure and picosecond excited-state dynamics of boron-nitrogen-bridged ferrocene-donor organic-acceptor charge-transfer compounds

Thomson, Mark David. January 1900 (has links) (PDF)
Frankfurt (Main), University, Diss., 2004.

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