Global ETD Search

11	Density functional theory investigations of the ground- and excited-state chemistry of dinuclear organometallic carbonyls Drummond, Michael Lee, January 2005 (has links) Thesis (Ph. D.)--Ohio State University, 2005. / Title from first page of PDF file. Document formatted into pages; contains xxi, 298 p.; also includes graphics. Includes bibliographical references (p. 280-298).
12	Hybrid density functional studies of hydrogen storage related molecular systems / Diaconu, Cristian V. January 2005 (has links) Thesis (Ph.D.)--Brown University, 2005. / Vita. Thesis advisor: Jimmie D. Doll. Includes bibliographical references (leaves 159-170). Also available online. Hydrogen storage. Density functionals.
13	Part 1--Elucidation of the structure and properties of 19-electron organometallic complexes using density functional theory ; Part 2--Solvent cage effects--identification of solvent and solute characteristics which influence the recombination efficiency of geminate radicals / Braden, Dale Andrew, January 2000 (has links) Thesis (Ph. D.)--University of Oregon, 2000. / Typescript. Includes vita and abstract. Includes bibliographical references (leaves 159-176). Also available for download via the World Wide Web; free to University of Oregon users. Address:http://wwwlib.umi.com/cr/uoregon/fullcit?p9963443.
14	Theoretical studies of transition metal containing diatomics and DNA electron transfer 唐素明, Tong, So-ming, Glenna. January 2002 (has links) published_or_final_version / Chemistry / Doctoral / Doctor of Philosophy Metals. Density functionals. Charge exchange.
15	Some aspects of the dynamics of many-body systems D'Amico, Irene, January 2000 (has links) Thesis (Ph. D.)--University of Missouri-Columbia, 2000. / Typescript. Vita. Includes bibliographical references (leaves 121-122). Also available on the Internet. Many-body problem. Density functionals.
16	Prediction of the molecular structure of ill-defined hydrocarbons using vibrational, ¹H and ¹³C NMR spectroscopy Obiosa-Maife, Collins. January 2009 (has links) Thesis (M. Sc.)--University of Alberta, 2009. / Title from pdf file main screen (viewed on Dec. 30, 2009). "A thesis submitted to the Faculty of Graduate Studies and Research in partial fulfillment of the requirements for the degree of Master of Science in Materials Engineering, Department of Chemical and Materials Engineering, University of Alberta." Includes bibliographical references.
17	Accessing large length and time scales with density functional theory Robinson, Mark January 2010 (has links) No description available. 530 Density functionals ; Quantum theory
18	Density functional studies of the stability of clusters Clayborne, Peneé Armaize, January 1900 (has links) Thesis (Ph. D.)--Virginia Commonwealth University, 2010. / Prepared for: Dept. of Chemistry. Title from title-page of electronic thesis. Bibliography: leaves 176-198.
19	Global minimum search of atomic and molecular clusters Bulusu, Satya S. January 1900 (has links) Thesis (Ph.D.)--University of Nebraska-Lincoln, 2006. / Title from title screen (site viewed May 9, 2007). PDF text: 143 p.: ill. (some col.) ; 4.21Mb UMI publication number: AAT 3237486. Includes bibliographical references. Also available in microfilm and microfiche formats.
20	Some aspects of the dynamics of many-body systems / D'Amico, Irene, January 2000 (has links) Thesis (Ph. D.)--University of Missouri-Columbia, 2000. / Typescript. Vita. Includes bibliographical references (leaves 121-122). Also available on the Internet. Many-body problem. Density functionals.

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