Browse by Advisor

2013

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

2012

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

Mendoza-Cortes, Jose L. (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

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

2011

Han, Si-ping (2011) DNA directed self-assembly of carbon nanotube structures. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:12162010-142822030

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

2010

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

Fisher, Daniel Ross (2010) Development and applications of quantum Monte Carlo. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:12152009-120706357

Mueller, Jonathan E. (2010) Structures, energetics and reactions of hydrocarbons on nickel. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:05262010-132424180

Pascal, Tod Augustin (2010) New approaches to accurate predictions of free energies: from protein to organic nano-structures. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10262009-204842274

2009

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

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

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

2008

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

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

2007

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

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

2006

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

2005

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

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

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

2004

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

Kalani, M. Yashar S. (2004) Structure and function studies of the human dopamine receptors. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-05042004-203854

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

2003

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

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

2002

Feldmann, Michael Todd (2002) Quantum Monte Carlo: quest to get bigger, faster, and cheaper. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:01252012-135136531

Wang, Guofeng (2002) First principles based multiscale modeling of single crystal plasticity : application to BCC tantalum. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11132009-112545862

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

2001

Debe, Derek A. (2001) Shaving levinthal with Occam's Razor : Understanding the rate limiting step in protein folding. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11122009-154318044

Ihee, Hyotcherl (2001) Ultrafast electron diffraction. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-04072008-112244

Kua, Jeremy S. (2001) Computational studies of heterogeneous and homogeneous catalysis by late transition medals. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11192009-085252318

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

2000

Carlson, Matt J. (2000) BUFF : a biological universal forcefield derived from quantum mechanics. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11192009-084608026

Lu, Daqi (2000) Theoretical studies of the nonlinear optical properties of organic materials. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10012010-103544088

1999

Brameld, Kenneth A. (1999) Molecular modeling of biological systems : from chitinase A to Z-DNA. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10192009-095619938

1998

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

Bertsch, Ruth Ann (1998) The early events of protein folding : Simulations of polyalanine folding into an alpha-helix. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10192009-084600422

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

Iotov, Mihail S. (1998) Diffusion in amorphous media. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10232009-112246663

Tsai, Bao-Liang (1998) First principles studies of semiconductor epitaxial growth. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-12062004-112630

1997

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

1996

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

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

Takeuchi, Toshihiko (1996) The electronic structure of distorted porphyins and cobalt schiff base derivatives as novel enzyme inhibitors. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11052009-085123252

1995

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

Kiang, Ching-Hwa (1995) Physics and chemistry of advanced nanoscale materials : experiment, simulation, and theory. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-10162007-105256

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

1994

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

Muller, Richard P. (1994) Development and implementation of ab initio methods for application to large molecules. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10292009-080702117

Perry, Jason Kendrick (1994) Alkane activation by first, second, and third row transition metal ions : organometallic chemistry in the gas plate. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11122009-152204878

Plaxco, Kevin W. (1994) Protein-DNA interactions : molecular modeling and energetics. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11112009-144801757

1993

Coley, Terry Ronald (1993) Prediction of scanning tunneling microscope images by computational quantum chemistry: chemical models and software design. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10192009-102157942

Lang, Gladys Hau-Wan (1993) Auxiliary-field Monte Carlo methods for interacting fermions : application to the nuclear shell model. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10222009-160215418

Mathiowetz, Alan Martin (1993) Dynamic and stochastic protein simulations : from peptides to viruses. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10292009-110407804

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

Park, Changmoon (1993) Protein design and simulation. Part I. Protein design. Part II. Protein simulation. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11112009-114142428

1992

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

Guo, Yuejin (1992) I. Molecular simulations of buckyball fullerenes. II. Quantum chemistry studies on high-T_c superconductors. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10282009-111805575

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

Rico, Rudolph J. (1992) Quantum-mechanical studies of vanadium oxides. Master's thesis, California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10042011-094257165

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

1991

Irikura, Karl K. (1991) Gas-phase chemistry of organotransition metal ions. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-06202007-111048

1989

Naylor, Adel Marie (1989) Insights on enzymes and polymers from molecular dynamics simulations: applications to dihydrofolate reductase complexes and starburst dendrimers. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11132009-134341582

Smith, David Charles (1989) Electronic structure and photochemical reactivity of binuclear metal complexes. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11052009-142520920

1988

Anslyn, Eric V. (1988) Mechanistic, synthetic and theoretical studies of high valent metallacycles and metal alkylidenes. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10192009-094841353

Brusich, Mark John (1988) Theoretical insights into the bonding in thorium organometallic complexes : a comparison with group IV transition metal chemistry. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10192009-085412529

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

McAdon, Mark Herbert (1988) New concepts of metallic bonding. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10302009-113153689

1987

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

Schilling, J. Bruce (1987) Experimental and theoretical aspects of hydrocarbon activation by transition metal ions in the gas phase. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11062009-094101367

1985

Allison, Janet Noel (1985) Theoretical studies of heterogeneous catalysis of molybdates. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10192009-083321412

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

1984

Goodgame, Marvin Mark (1984) Exchange forces in transition-metal bonding. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10232009-150307132

McElwee-White, Lisa Ann (1984) Theoretical and experimental assessment of the viability of 1,4,6,9-spiro[4.4]nonatetrayl as a reactive intermediate. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10262009-151524640

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

1983

Voter, Arthur F (1983) The resonating valence bond model of molecules and reactions. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11132009-133042163

1981

Casewit, Carla Jutta (1981) I. Electrophilic reactions of p-toluenesulfonyl azide. II. 15N and 13C nuclear magnetic studies of aryldiazonium compounds effect of substituent, solvent and 18-crown-6. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-01112005-143434

Rappe, Anthony Kay (1981) Theoretical studies of homogeneous catalysis by transition metal complexes. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-02032005-112022

1980

Upton, Thomas Hallworth (1980) Theoretical studies of chemisorption processes on nickel surfaces. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11192009-140133915

1979

Harding, Lawrence Brook (1979) Ab initio studies of excited states and reactions of organic molecules. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11192009-132537342

Houle, Frances Anne (1979) Studies of alkyl free radicals and reaction mechanisms by photoelectron spectroscopy. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11022009-081650291

Olafson, Barry Duane (1979) A molecular description of oxygen binding to hemoglobin. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11192009-093719542

Woodin, Richard Lawrence (1979) Ion cyclotron resonance studies of vibrationally excited ions. I. Low intensity multiphoton dissociation of gas phase ions using CW CO_2 laser radiation. II. Infrared radiative stabilization of energized species in the gas phase. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11052009-133235754

1978

Nascimento, Marco Antonio Chaer (1978) I. Theoretical studies of photoionization. II. The electronic structure of linear polyenes. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10292009-093916795

1977

Davis, James Hubbard (1977) Theoretical studies of organic diradicals and the thermal rearrangement of bicyclopropenyls. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:04242012-160948000

Redondo-Muino, Antonio (1977) Theoretical studies of silicon surfaces using finite clusters. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11182009-101146638

Walch, Stephen Perry (1977) Theoretical studies of chemisorption. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11092009-084139276

1976

Surratt, Grover Timothy (1976) A generalized valence bond description of vacancy and impurity states in diamond and silicon. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11052009-153524672

1975

Wadt, Willard Rogers (1975) I. The electron structure of the Criegee intermediates. II. The electronic structure of pyrazine. III. Approximate integral methods and correlated wavefunctions. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11182009-145338541

1974

Bobrowicz, Frank Wilhelm (1974) Investigations of spin-eigenfunction correlated wavefunctions. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-09272005-143127

1973

Carhart, Raymond E. (1973) A detailed theoretical study of the difluoromethane molecule. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:03042011-095512877

Guberman, Steven Lawrence (1973) I. Projected G1 wavefunctions for He_2. II. Localized wavefunctions for H_2O, OH, and O. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10222009-105738617

Huestis, David Lee (1973) I. The projected GI method and the excited states of H_2. II. A superposition principle for Seigert resonant states. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11052009-132233582

Melius, Carl Frederick (1973) 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. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11202009-152551437

1972

Blint, Richard Joseph (1972) I. Orbital interpretation and properties of the X^1Σ^+, a^3∏, A^1∏ and ^3Σ^+ states of boronhydride radical BH. II. Gas phase reactions of fluoromethyl cations with ethylene and benzene. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:10282009-093808296

Hay, Philip Jeffrey (1972) I. The generalized valence bond theory of electronic structure. II. An orbital interpretation of superexchange in antiferromagnetic insulators. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11042009-080816954

Hunt, William James (1972) Electronic wavefunctions for small molecules. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11122009-074130644

Kahn, Luis R. (1972) I. Ab-initio effective potentials for use in molecular calculations. II. The Sternheimer correction, perturbation theory, and approximate wavefunctions. III. The theoretical determination of the Li_2 B^1π_u potential energy curve. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11202009-150548056

Ladner, Robert Charles (1972) Independent-particle potential-energy surfaces for chemical reactions. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:07092010-164234058

Mortola, Albert Patrick (1972) Bonding in transition metal compounds. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11242009-083723341

1971

O'Keefe, Patricia Marie (1971) The applications of the GI method to incorporation of many body effects in metals; the band structure and resolution of several anomalous properties of lithium metal. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:05132010-113849886

Surratt, Grover Timothy (1971) The minimum kinetic energy orbital and the band structure of sodium. Master's thesis, California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:04292010-111816149

1970

Dunning, Thomas Harold (1970) The excitation operator method and the valence excited states of ethylene. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:09272010-083324433

Frank, Robert (1970) Theoretical correlation of the geometry and magnetic hyperfine splittings of the methyl radical. Master's thesis, California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:04302010-075156671

Wilson, Charles Woodrow (1970) Molecular stability and the H_2 + D_2 → 2HD four-center exchange reaction surface. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:11192009-140720848