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Number of items: 149.

Chitsaz, Mohsen (2014) Protein structure refinement algorithms. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:06072014-074257676

Fu, Ross (2014) Iridium and rhodium analogues of the Shilov cycle catalyst; and the investigation and applications of the Reduction-Coupled Oxo Activation (ROA) mechanistic motif towards alkane upgrading. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:05212014-155104252

Gleason-Rohrer, David Charles (2014) Measurement of the band bending and surface dipole at chemically functionalized Si(111)/vacuum interfaces. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11202013-144350295

Goodpaster, Jason Daniel (2014) Density functional theory embedding for correlated wavefunctions. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:05302014-220000101

Lan, Tian (2014) Studies of phonon anharmonicity in solids. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:05142014-120832065

Liu, Xiao (2014) A Study on iron-based amorphous alloys : alloy development, thermodynamics and soft magnetism. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11222013-151337813

Garrett, Glenn Robert (2013) Study of the origins of toughness in amorphous metals. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:05252013-065528171

Hwang, Kiwook (2013) Biotechnologies for cancer diagnostics : cell sorting, protein analysis and imaging of cellular metabolism. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:06072013-111912342

Jang, Min Seok (2013) Plasmonics and electron optics in graphene. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11262012-160659812

Mishra, Himanshu (2013) Proton transfers at the air-water interface. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:05092013-220921048

Muñoz, Jorge Alberto (2013) Electronic structure and phonon thermodynamics of iron alloys. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:05312013-184738559

Pomrehn, Gregory Schoelerman (2013) Phase stability and defect behavior in complex thermoelectric zinc-antimonides. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:01252013-135311552

Stadie, Nicholas P. (2013) Synthesis and thermodynamic studies of physisorptive energy storage materials. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:09092012-010239493

Theofanis, Patrick Lauren (2012) The quantum electron dynamics of materials subjected to extreme environments. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:04262012-115237724

An, Qi (2012) Atomistic simulations of material properties under extreme conditions. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:05182012-130227746

Cheng, Mu-Jeng (2012) Mechanistic insights into alkane C-H activation and functionalization by metal oxide surfaces and organometallic complexes. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:05222012-224148199

Li, Chen W. (2012) Phonon anharmonicity of ionic compounds and metals. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:05012012-155623422

Mendoza-Cortes, Jose Luis (2012) Design of molecules and materials for applications in clean energy, catalysis and molecular machines through quantum mechanics, molecular dynamics and Monte Carlo simulations. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:05292012-220632933

Tadross, Pamela Michele (2012) Exploiting the reactivity of arynes in the total synthesis of natural products. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11092011-100634353

Tiwary, Pratyush (2012) Atomistic simulations of materials : methods for accurate potentials and realistic time scales. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:05302012-182258575

Yu, Jen-Kan (2012) Nanostructured silicon thermoelectrics. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:03252012-235254880

Yu, Ted H. (2012) Degradations and improvements in PEM fuel cell materials : a computational study. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:04042012-095544878

Brown, Evan Cornell (2011) Electrochemically deposited ceria structures for advanced solid oxide fuel cells. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:05262011-123505549

Louie, Mary W. (2011) Electrocatalysis in solid acid fuel cells. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:05232011-144137426

Sha, Yao (2011) The mechanisms of the fuel cell oxygen reduction reaction on Pt and other 8–11 column metal surfaces. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:05112011-205842246

Walker, Don (2011) Corrole sensitized solar cells. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:09282010-221227791

Anderson, Amos Gerald (2010) Quantum Monte Carlo : faster, more reliable, and more accurate. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-08122009-151332

Bray, Jenelle Kiara (2010) The development and application of computational methods for the prediction of G protein-coupled receptors. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-09032009-105125

Cable, Morgan Leigh (2010) Life in extreme environments : lanthanide-based detection of bacterial spores and other sensor design pursuits. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:05102010-145436548

Li, John Jian-Zhong (2010) Study of liquid metals by electrostatic levitation. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-06012009-162039

Liu, Yu (2010) Biochemical reactions in confined space. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-06262009-144008

Wang, Ying (2010) Equilibrium ²H¹H fractionations in organic molecules. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10212009-213942982

Alabi, Akinleye Christopher (2009) I. Synthesis and proton conductivity studies of mesostructured organosilicates and bitriazole-polymer composites II. Targeted nanoparticles for siRNA delivery. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05262009-145437

Hanek, Ariele Patrice (2009) Chemical-scale investigations of cys-loop neurotransmitter gated ion channels. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05282009-112657

Kekenes-Huskey, Peter Michael (2009) A Monte Carlo-based torsion construction algorithm for ligand design. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05282009-131419

Kim, Hyungjun (2009) Multiscale and multiphysics computational frameworks for nano- and bio-systems. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05212009-221851

Matsuda, Yuki (2009) Ab initio quantum mechanical studies in electronic and structural properties of carbon nanotubes and silicon nanowires. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-07222008-023323

Shapiro, Ian Ross McKay (2009) Observation of single-molecule rotational diffusion at microsecond timescales by polarized fluorescence correlation spectroscopy. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-06052009-140716

Sheriff, Bonnie Ann (2009) Silicon nanowires and silicon/molecular interfaces for nanoscale electronics. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-06302008-165534

Tanrikulu, Ismet Caglar (2009) Discovery of aminoacyl-tRNA synthetase mutants for the incorporation of noncanonical amino acids into proteins. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05232009-204358

Torrice, Michael McCann (2009) Chemical-scale studies of the nicotinic and muscarinic acetylcholine receptors. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-08072008-103726

Wiencko, Heather L (2009) Adrenergic receptors : model systems for investigation of G-protein coupled receptor structure and function. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05292009-094239

Ayalasomayajula, Meher Kiran Prakash (2008) Theoretical studies of single molecule biophysical systems and photochemical ensembles. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-09062007-233423

Boukai, Akram Issam (2008) Thermoelectric properties of bismuth and silicon nanowires. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-01172008-141725

Caspi, Daniel David (2008) The adaptive nature of palladium reactivity in synthesis. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-02212008-145524

Duan, Gang (2008) Simulations, modeling, and designs of bulk metallic glasses. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-09252007-100851

Jordan, Jason Paul (2008) The development of water-soluble olefin metathesis catalysts containing an N-heterocyclic carbene ligand. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-07182007-154911

Kam, Victor Wai Tak (2008) Methods in computational protein design. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05302008-164022

Keith, Jason M (2008) Palladium mediated activation of molecular oxygen. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05272008-095638

Keith, John Andrew (2008) Computational insight into homogeneous organopalladium catalysis. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05012008-092352

Lind, Mary Laura (2008) Ultrasonic investigation of the elastic properties and liquid fragility of bulk metallic glasses in the supercooled liquid region. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-10262007-104725

McFadden, Ryan Michael (2008) Applications of palladium-catalyzed enantioselective decarboxylative alkylation in natural products total synthesis. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-12172007-134752

Tong, Chinghang (2008) Thermodynamic modeling of organic aerosol. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-09172007-160334

Tsai, Sherry M (2008) Alpha-diaminobutyric acid-linked hairpin polyamide-alkylator conjugates. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-10152007-175458

Behenna, Douglas C (2007) Progress toward the synthesis of (+)-zoanthenol and the development of an asymmetric Tsuji allylation reaction. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-10312006-164725

Cowan, Lisa (2007) Superprotonic solid acid phase transitions and stability. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05232007-142037

Dodd, Joanna Lynn (2007) Phase composition and dynamical studies of lithium iron phosphate. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05072007-184544

Green, Jonathan Earl (2007) Ultra-dense nano- and molecular-electronic circuits. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05312007-142846

Harmon, John Shelby (2007) Experimental studies of elasticity, plastic flow, and anelasticity in metallic glass forming liquids. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05072007-150354

Heo, Jiyoung (2007) Computational studies of orphan G protein-coupled receptors. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-11102006-144154

Lee, Lori WaiHang (2007) Chemical scale investigations of the gating mechanism of ion channels. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-01152007-080704

Liu, Jian (2007) Microfluidic devices for genetic analysis and gene expression studies. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-04122007-134232

Niemer, Rachel K. (2007) Computational studies of the structure and function of two lipid-activated G protein-coupled receptors. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05292007-060906

Su, Julius Tsu-li (2007) An electron force field for simulating large scale excited electron dynamics. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05032007-151410

Biteen, Julie Suzanne (2006) Plasmon-enhanced silicon nanocrystal luminescence for optoelectronic applications. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05312006-163455

Choi, Eun Jung (2006) Development and applications of computational protein design. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-06012006-103350

Delaire, Olivier (2006) The phonon entropy of transition metals and alloys : effects of impurities and of a martensitic phase transition. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05262006-160244

Lu, Connie Chih (2006) The chemistry of tris(phosphino)borate manganese and iron platforms. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-06012006-151944

Mu, Tingwei (2006) A chemical-scale study on the ligand-binding site of a serotonin-gated ion channel. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-08292005-210930

Nielsen, Robert J. (2006) Computational strategy in catalyst design. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-06052005-221223

Sharma, Shantanu (2006) Prediction of structure and antagonist binding site in human and rodent chemokine receptor 1. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05242005-143543

Solares, Santiago de Jesus (2006) Multi-scale simulations of single-walled carbon nanotube atomic force microscopy and density functional theory characterization of functionalized and non-functionalized silicon surfaces. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05122006-102528

Thurman, Derek Wade (2006) Molecular aspects of flow-induced crystallization of polypropylene. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-12032005-115154

Benitez, Diego (2005) Theoretical study of the mechanism of olefin metathesis and synthesis of cyclic polymers. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05302005-112828

Dirks, Robert Michael (2005) Analysis, design, and construction of nucleic acid devices. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05242005-133116

Hall, Spencer Eugene (2005) Development of a structure prediction method for G-protein coupled receptors. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-06012005-235052

Li, Youyong (2005) Atomistic simulation of macromolecules. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-12072004-021118

Mayo, Elizabeth Idonia (2005) Kinetics and thermodynamics of dye (group VIII metal)-sensitized nanocrystalline titanium dioxide photoelectrodes. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-06042004-153530

Mukherjee, Sundeep (2005) Study of crystallization behavior, kinetics and thermodynamics of bulk metallic glasses using noncontact electrostatic levitation technique. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-01282005-111916

Peng, Joyce Yaochun (2005) Structure and function prediction of human muscarinic acetylcholine receptor 1, cation-pi studies, and protein design. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05312005-114949

Petersson, Ernest James (2005) Investigations of ion channel structure and function. I. Studies of nicotine binding to the acetylcholine receptor. II. Development of tools for studying learning and memory with unnatural amino acids. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05242005-172213

Rutenberg, Isaac Michael (2005) Functionalized polymers and surfaces via ring-opening metathesis polymerization. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-08132004-132724

Sisk, Brian Christopher (2005) Computational optimization of chemical vapor detector arrays. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-02152005-125249

Staneff, Geoff D. (2005) High-pressure synthesis of thermoelectric materials. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05262005-004951

Wu, Jian (2005) Defect chemistry and proton conductivity in Ba-based perovskites. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-12062004-232639

Xu, Donghua (2005) Development of novel binary and multi-component bulk metallic glasses. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05272005-160315

Zhang, Qingsong (2005) Atomistic simulations of barium titanate. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-10292004-152709

Boysen, Dane Andrew (2004) Superprotonic solid acids: structure, properties, and applications. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05282004-155105

Deng, Weiqiao (2004) Computation aided design in molecular nanotechnology. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05282004-161503

Elmore, Donald Eugene (2004) Investigations of ion channel structure-function relationships using molecular modeling and experimental biochemistry. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05212004-144036

Gstrein, Florian (2004) Electron-transfer processes at semiconductor/liquid interfaces and metal/nanogap junctions. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-02242004-181514

Mason, Maribeth Swiatek (2004) Synthesis of large-grained polycrystalline silicon by hot-wire chemical vapor deposition for thin film photovoltaic applications. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-03182004-221215

Scherman, Oren Alexander (2004) Enhancing materials through controlled architectures with ring-opening metathesis polymerization. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-02272004-034648

Trabanino, Rene Jouvanni (2004) Prediction of structure, function, and spectroscopic properties of G-protein-coupled receptors: methods and applications. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05202004-174324

Wang, Pin (2004) Expanding the biosynthetic capacity of the aminoacyl-tRNA synthetases. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-12172003-140435

Bielawski, Christopher William (2003) Tailoring polymer synthesis with designer ruthenium catalysts. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-11072002-184043

Chisholm, Calum Ronald Inneas (2003) Superprotonic Phase Transitions in Solid Acids: Parameters affecting the presence and stability of superprotonic transitions in the MHnXO4 family of compounds (X=S, Se, P, As; M=Li, Na, K, NH4, Rb, Cs). Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-01292003-150309

Datta, Deepshikha (2003) Protein-ligand interactions: docking, design and protein conformational change. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-03242003-111426

Kent, David Randall (2003) New quantum Monte Carlo algorithms to efficiently utilize massively parallel computers. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-02252003-134943

Lee, Hyon-Jee (2003) Molecular dynamics studies of metallic glasses. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05292003-165018

Meier, Alexandre Edouard (2003) Gallium and chromium corroles. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-04082003-142034

Zhang, Deqiang (2003) Structure-based design of mutant proteins: I. Molecular docking studies of amino acid binding to wild-type aminoacyl-tRNA synthetases. II. Structure-based design of mutant aminoacyl-tRNA synthetases for non-natural amino acid incorporation. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-12182002-190040

Bolon, Daniel N. (2002) Computational enzyme design. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-01252002-100801

Zamanakos, Georgios (2002) A fast and accurate analytical method for the computation of solvent effects in molecular simulations. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-04062005-082441

Chang, Aileen Yulin (2001) Cleavage of DNA by polyamide-seco-CBI conjugates. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:03142014-154815404

Qi, Yue (2001) Molecular dynamics (MD) studies on phase transformation and deformation behaviors in FCC metals and alloys. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-09172008-112120

Szczepankiewicz, Steven Henry (2001) Surface chemistry of titanium dioxide photocatalysts. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05232006-094537

Miller, Stephen Albert (2000) Metallocene-mediated olefin polymerization : the effects of distal ligand perturbations on polymer stereochemistry. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05172004-054229

Claypool, Christopher L. (1999) Why molecules look the way they do in STM : a systematic functional group approach. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10192009-081325550

Belmares, Michael Paul (1998) Molecular origins of the thermophysical properties of polymers and modeling of polymer permeation by large molecules. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-12172004-155023

Dahiyat, Bassil I. (1998) Protein design automation : principles and practice. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05132009-113001

Faglioni, Francesco (1998) Quantum chemical computations of heterogeneous selective oxidation, STM images, and multiple bond reactions. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10202009-092753223

Gao, Guanghua (1998) Large scale molecular simulations with application to polymers and nano-scale materials. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10202009-133456579

Crellin, Kevin Christopher (1997) The investigation of gas-phase ion-molecule reactions with fourier transform ion cyclotron resonance mass spectrometry. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10222009-123129177

McClurg, Richard Beatty (1997) Homogeneous nucleation theory. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-01142008-080911

Melnik, M. Susan (1997) Diamond surfaces : interactions with hydrogen and halogens. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-01162008-075117

Tsai, Bao-Liang (1997) First principles studies of semiconductor epitaxial growth. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-12062004-112630

Demiralp, Ersan (1996) Prediction of structures and properties for organic superconductors. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-09082006-140314

Gerdy, James Joseph (1996) Accurate interatomic potentials for simulations. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10212009-150813700

Heikal, Ahmed Abdou (1996) Ultrafast molecular dynamics in complexed trans-stilbene. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-12192007-150129

Hua, Xinlei (1996) First principles simulations : development of new density functionals and pseudopotentials and formation mechanism of fullerenes. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-01072008-115130

Kelly, James J. (1996) Binding site size limitations of imidazole-pyrrole polyamides for recognition in the minor groove of DNA. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:03112014-150124711

Bierwagen, Erik Paul (1995) Computational studies of Ziegler-Natta catalysis and concurrent resonance computations. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-09112007-104050

Lim, Kian-Tat (1995) Mega-molecular dynamics on highly parallel computers : methods and applications. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-10152007-143016

Musgrave, Charles Bruce (1995) Molecular mechanics and ab initio simulations of silicon (111) surface reconstructions, semiconductors and semiconductor superlattices, H abstraction for nanotechnology, polysilane, and growth of CVD diamond. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-10192007-104223

Wang, Neng E. (1995) Studies in dynamics. Master's thesis, California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-10292007-104923

Langlois, Jean-Marc (1994) New methods for ab initio quantum mechanical calculations in molecular and crystalline systems. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-12042007-081615

Li, Mo (1994) Crystal to glass transition and its relation to melting. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-10052004-121305

Miller, Ann Elizabeth (1993) Ab initio calculations in heterogeneous and homogeneous catalysis : I. Methanol to gasoline with ZSM-5. II. Carbonyl ligand effects on metal-metal bonds. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-09042007-152645

Baker, Shenda Mary (1992) Scanning tunneling microscopy and spectroscopy of silicon and carbon surfaces. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:09012011-151648229

Chen, Guanhua (1992) Superconductivities of high-T_c materials and alkali compounds of Buckminsterfullerene. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10132009-131816426

Donnelly, Robert Edward (1992) Modeling and visualizing surfaces. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10212009-105855010

Karasawa, Naoki (1992) Simulations of polymer crystals : new methods and applications. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-08062007-104316

Sun, Yun (1992) NMR Studies of Protein-DNA Interactions : Determinations of DNA Structures Recognized by Bin Recombinase and Studies of Their Roles in Protein Binding Interactions. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:09132011-160134197

Tahir-Kheli, Jamil (1992) The infinite range Heisenberg model and high temperature superconductivity. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05042006-112846

Baskin, John Spencer (1990) Real-time observation and analysis of coherence and alignment in molecular systems: isolated molecules and chemical reactions. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-11252003-112746

Shin, Seung Koo (1989) Experimental and theoretical studies of silylenes, silicenium ions, and organometallic reactive intermediates. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11122009-115104264

Mayo, Stephen L. (1988) Electron transfer in structurally engineered metalloproteins. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-04292004-095332

Carter, Emily Ann (1987) Finesse in quantum chemistry: accurate energetics relevant for reaction mechanisms. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-11212003-111159

Atzmon, Michael (1986) A study of bulk amorphous alloys formed by solid-state reaction in elemental composites. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-03212008-081007

Koerting, Charles Frederick (1985) Variable-angle electron spectroscopic studies of various polyatomic molecular systems. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:02132014-084828083

Low, John James (1985) Theoretical studies of oxidative addition and reductive elimination. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10232009-095454256

Steigerwald, Michael L. (1984) 2s + 2s reactions at transition metals. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-01032007-142600

Zur, Amikam (1984) Theoretical investigations of solid interfaces: 1. The position of the Fermi level at a metal-semiconductor interface. 2. Geometric lattice match and its application to heteroepitaxy. 3. Ab-initio calculation of the elastic properties of silicon, using small clusters. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-01222007-152908

Moody, Douglas Marion (1983) I. Numerical solution of the superfluid shock jump conditions. II. Experimental investigation of the liquid helium II-vapor interface. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-08312006-081008

Maverick, Andrew William (1982) Spectroscopy and photochemistry of polynuclear metal complexes. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-03092005-130854

Freiser, Benjamin Sherman (1977) Photochemical investigations of ions in the gas phase utilizing ion cyclotron resonance spectroscopy. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-02242009-110155

Truhlar, Donald G. (1970) Quantum mechanical calculations for rearrangement collisions of electrons, atoms, and molecules. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-01082009-135357

Steadman, Vivian Louise (1967) Some factors which affect the spin densitites of protons, with particular emphasis on the β-protons of cyclobutenyl. Master's thesis, California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:05072010-160004325

This list was generated on Fri Sep 19 02:00:39 2014 PDT.