Global ETD Search

81	Intramolecular electron transfer in mixed-valence triarylamines Lancaster, Kelly. January 2009 (has links) Thesis (Ph.D)--Chemistry and Biochemistry, Georgia Institute of Technology, 2010. / Committee Chair: Bredas, Jean-Luc; Committee Member: Kippelen, Bernard; Committee Member: Marder, Seth; Committee Member: Orlando, Thomas; Committee Member: Sherrill, David. Part of the SMARTech Electronic Thesis and Dissertation Collection.
82	Investigation of the structure and bonding of metal complexes through the use of density functional theory Brett, Constance M., January 2005 (has links) Thesis (Ph. D.)--Ohio State University, 2005. / Title from first page of PDF file. Document formatted into pages; contains xxxi, 309 p.; also includes graphics Includes bibliographical references. Available online via OhioLINK's ETD Center
83	Theoretical studies of Pd on MgO(100) surface with density functional and transition state theories / Xu, Lijun, January 2006 (has links) Thesis (Ph. D.)--University of Washington, 2006. / Vita. Includes bibliographical references (p. 107-114).
84	Density evolution in systems with slow approach to equilibrium Nelson, Kevin Taylor, Turner, Jack S., Driebe, Dean J. January 2004 (has links) (PDF) Thesis (Ph. D.)--University of Texas at Austin, 2004. / Supervisors: Jack S. Turner and Dean J. Driebe. Vita. Includes bibliographical references and index.
85	Time-resolved resonance Raman investigation of selected para-substituted phenylnitrenium ions and the 2-fluorenylnitrenium ion reaction with guanosine Chan, Pik-ying. January 2005 (has links) Thesis (Ph. D.)--University of Hong Kong, 2006. / Title proper from title frame. Also available in printed format.
86	Resonance Raman, time-resolved resonance Raman and density functional theory study of Benzoin diethyl phosphate, selected P-Hydroxy and P-methoxy substituted phenacyl ester phototrigger and model compounds Chan, Wing-sum. January 2005 (has links) Thesis (Ph. D.)--University of Hong Kong, 2006. / Title proper from title frame. Also available in printed format.
87	First principles modeling of arsenic and fluorine behavior in crystalline silicon during ultrashallow junction formation Harrison, Scott Anthony, January 1900 (has links) (PDF) Thesis (Ph. D.)--University of Texas at Austin, 2006. / Vita. Includes bibliographical references.
88	Computational research on lithium ion battery materials Tang, Ping. January 2006 (has links) Thesis (Ph.D.)--Wake Forest University. Dept. of Physics, 2006. / Vita. Includes bibliographical references (leaves 90-95)
89	Theory of the two-dimensional airy electron gas Hartee-Fock and density-functional studies / Thulasi, Sunita, January 2006 (has links) Thesis (Ph. D.)--University of Missouri-Columbia, 2006. / The entire dissertation/thesis text is included in the research.pdf file; the official abstract appears in the short.pdf file (which also appears in the research.pdf); a non-technical general description, or public abstract, appears in the public.pdf file. Title from title screen of research.pdf file viewed on (May 17, 2007) Vita. n following parenthesis in formula (LaTiO₃) should be subscript. Includes bibliographical references.
90	Nonadiabatic molecular dynamics in time-dependent density functional theory with applications to nanoscale materials / Craig, Colleen F. January 2006 (has links) Thesis (Ph. D.)--University of Washington, 2006. / Vita. Includes bibliographical references (p. 89-98).

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