<h1>Goddard, William</h1>
<h2>Monograph from <a href="https://data.caltech.edu">CaltechTHESIS advisor</a></h2>
<ul>
<li>Musgrave, Charles Bruce, III (2025) <a href="https://resolver.caltech.edu/CaltechTHESIS:07092024-152839479">Computational Approaches to Problems in Energy and Sustainability</a>; <a href="https://doi.org/10.7907/hnc1-je90">10.7907/hnc1-je90</a></li>
<li>Korol, Roman (2024) <a href="https://resolver.caltech.edu/CaltechTHESIS:08212023-205141057">Development and Applications of Imaginary Time Path Integral Methods</a>; <a href="https://doi.org/10.7907/jy10-rf87">10.7907/jy10-rf87</a></li>
<li>Qiao, Zhuoran (2023) <a href="https://resolver.caltech.edu/CaltechTHESIS:12102022-055022458">Physics-Informed Neural Approaches for Multiscale Molecular Modeling and Design</a>; <a href="https://doi.org/10.7907/48d1-ja21">10.7907/48d1-ja21</a></li>
<li>Chen, Yalu (2021) <a href="https://resolver.caltech.edu/CaltechTHESIS:12152020-221422639">Computational Investigation of Nanoscale Electrocatalysts for Clean Energy Conversion</a>; <a href="https://doi.org/10.7907/tgw8-c485">10.7907/tgw8-c485</a></li>
<li>Huang, Yufeng (2019) <a href="https://resolver.caltech.edu/CaltechTHESIS:12232018-185711169">Computational Heterogeneous Electrochemistry – From Quantum Mechanics to Machine Learning</a>; <a href="https://doi.org/10.7907/MCGV-Y790">10.7907/MCGV-Y790</a></li>
<li>Qian, Jin (2019) <a href="https://resolver.caltech.edu/CaltechTHESIS:12072018-215548214">From Quantum Mechanics to Experimental Observables: Computational Investigations of Energy-Related Heterogeneous Catalysts</a>; <a href="https://doi.org/10.7907/SPEJ-5X35">10.7907/SPEJ-5X35</a></li>
<li>Gethers, Matthew Leroy, III (2018) <a href="https://resolver.caltech.edu/CaltechTHESIS:06012018-190621868">Therapeutic Opportunities and Approaches to Sequence Control for Nucleic Acids</a>; <a href="https://doi.org/10.7907/WE1E-EZ49">10.7907/WE1E-EZ49</a></li>
<li>Brooks, Daniel James (2018) <a href="https://resolver.caltech.edu/CaltechTHESIS:06012018-042437640">Computational Investigation of Ionic Diffusion in Polymer Electrolytes for Lithium-Ion Batteries</a>; <a href="https://doi.org/10.7907/ZE9T-V407">10.7907/ZE9T-V407</a></li>
<li>Griffith, Adam Reid (2017) <a href="https://resolver.caltech.edu/CaltechTHESIS:06122017-230026717">DarwinDock and GAG-Dock: Methods and Applications for Small Molecule Docking</a>; <a href="https://doi.org/10.7907/Z91Z42GS">10.7907/Z91Z42GS</a></li>
<li>Johnson, Samantha Jo Iva (2017) <a href="https://resolver.caltech.edu/CaltechTHESIS:12082016-154933538">Computational Investigation of Small Molecule Catalysis by Cobalt, Rhodium, and Iridium Molecular Catalysts  </a>; <a href="https://doi.org/10.7907/Z9TD9V9K">10.7907/Z9TD9V9K</a></li>
<li>Dong, Sijia S. (2017) <a href="https://resolver.caltech.edu/CaltechTHESIS:01032017-003321706">First-Principles-Based Simulations for G Protein-Coupled Receptor Activation and for Large-Scale Nonadiabatic Electron Dynamics</a>; <a href="https://doi.org/10.7907/Z98C9T8D">10.7907/Z98C9T8D</a></li>
<li>Crowley, Jason Michael (2016) <a href="https://resolver.caltech.edu/CaltechTHESIS:05312016-081457742">Resolution of the Band Gap Prediction Problem for Materials Design</a>; <a href="https://doi.org/10.7907/Z9D21VKZ">10.7907/Z9D21VKZ</a></li>
<li>Liu, Fan (2016) <a href="https://resolver.caltech.edu/CaltechTHESIS:06062016-153802648">Classical Force Field Simulations of Biological Processes and Quantum Chemical Computations of Homogeneous Catalysts</a>; <a href="https://doi.org/10.7907/Z94M92J2">10.7907/Z94M92J2</a></li>
<li>Kirkpatrick, Andrea (2015) <a href="https://resolver.caltech.edu/CaltechTHESIS:04132015-220841374">Computational Predictions of G Protein-Coupled Receptor Structures and Binding Sites</a>; <a href="https://doi.org/10.7907/Z9NG4NJG">10.7907/Z9NG4NJG</a></li>
<li>Xiao, Hai (2015) <a href="https://resolver.caltech.edu/CaltechTHESIS:03202015-113328412">First Principles Based Multiparadigm Modeling of Electronic Structures and Dynamics</a>; <a href="https://doi.org/10.7907/Z94747T1">10.7907/Z94747T1</a></li>
<li>Cvicek, Vaclav (2015) <a href="https://resolver.caltech.edu/CaltechTHESIS:02042015-031802985">Structure Prediction of G-Protein Coupled Receptors</a>; <a href="https://doi.org/10.7907/Z9S46PVG">10.7907/Z9S46PVG</a></li>
<li>Tsai, Ho-Cheng (2015) <a href="https://resolver.caltech.edu/CaltechTHESIS:06012015-203513094">Quantum Mechanics Studies of Fuel Cell Catalysts and Proton Conducting Ceramics with Validation by Experiment</a>; <a href="https://doi.org/10.7907/Z9P55KFW">10.7907/Z9P55KFW</a></li>
<li>Lam, Yan Choi (2015) <a href="https://resolver.caltech.edu/CaltechTHESIS:05212015-155730829">Synthesis, Oxidation and Photophysics of Perfluoroborated Tetrakis(pyrophosphito)diplatinate (II) and Density Functional Theory (DFT) Study of Electrochemical CO2 Reduction by Mn Catalysts</a>; <a href="https://doi.org/10.7907/Z94J0C2D">10.7907/Z94J0C2D</a></li>
<li>Fu, Ross (2014) <a href="https://resolver.caltech.edu/CaltechTHESIS:05212014-155104252">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</a>; <a href="https://doi.org/10.7907/WY3F-DZ94">10.7907/WY3F-DZ94</a></li>
<li>Scott, Caitlin Eileen (2014) <a href="https://resolver.caltech.edu/CaltechTHESIS:05312014-002701930">Role of Conformational Changes in G Protein-Coupled Receptor Activation</a>; <a href="https://doi.org/10.7907/Z94747VG">10.7907/Z94747VG</a></li>
<li>Liu, Wei-Guang (2014) <a href="https://resolver.caltech.edu/CaltechTHESIS:05232014-150103448">First-Principle Studies of the Initiation Mechanism of Energetic Materials</a>; <a href="https://doi.org/10.7907/Z9445JGM">10.7907/Z9445JGM</a></li>
<li>Mishra, Himanshu (2013) <a href="https://resolver.caltech.edu/CaltechTHESIS:05092013-220921048">Proton Transfers at the Air-Water Interface</a>; <a href="https://doi.org/10.7907/A9HR-PN89">10.7907/A9HR-PN89</a></li>
<li>Yu, Ted H. (2012) <a href="https://resolver.caltech.edu/CaltechTHESIS:04042012-095544878">Degradations and Improvements in PEM Fuel Cell Materials: A Computational Study
</a>; <a href="https://doi.org/10.7907/0CYM-2B74">10.7907/0CYM-2B74</a></li>
<li>Cheng, Mu-Jeng (2012) <a href="https://resolver.caltech.edu/CaltechTHESIS:05222012-224148199">Mechanistic Insights into Alkane C-H Activation and Functionalization by Metal Oxide Surfaces and Organometallic Complexes</a>; <a href="https://doi.org/10.7907/K4XH-V434">10.7907/K4XH-V434</a></li>
<li>An, Qi (2012) <a href="https://resolver.caltech.edu/CaltechTHESIS:05182012-130227746">Atomistic Simulations of Material Properties under Extreme Conditions</a>; <a href="https://doi.org/10.7907/E3Z0-1A27">10.7907/E3Z0-1A27</a></li>
<li>Ford, William Chastang (2012) <a href="https://resolver.caltech.edu/CaltechTHESIS:05302012-122930768">I. Quantal Effects in Biochemical Cooperativity and a Proposed Mechanism for the Differentiation of Calcium Signaling in Synaptic Plasticity. II. Evolutionary Algorithms for the Optimization of Methods in Computational Chemistry</a>; <a href="https://doi.org/10.7907/Z9HH6H1Z">10.7907/Z9HH6H1Z</a></li>
<li>Mendoza-Cortes, Jose Luis (2012) <a href="https://resolver.caltech.edu/CaltechTHESIS:05292012-220632933">Design of Molecules and Materials for Applications in Clean Energy, Catalysis and Molecular Machines Through Quantum Mechanics, Molecular Dynamics and Monte Carlo Simulations</a>; <a href="https://doi.org/10.7907/PQ74-HK88">10.7907/PQ74-HK88</a></li>
<li>Theofanis, Patrick Lauren (2012) <a href="https://resolver.caltech.edu/CaltechTHESIS:04262012-115237724">The Quantum Electron Dynamics of Materials Subjected to Extreme Environments</a>; <a href="https://doi.org/10.7907/BJ5N-QV45">10.7907/BJ5N-QV45</a></li>
<li>Han, Si-ping (2011) <a href="https://resolver.caltech.edu/CaltechTHESIS:12162010-142822030">DNA Directed Self-Assembly of Carbon Nanotube Structures</a>; <a href="https://doi.org/10.7907/3ZN9-T618">10.7907/3ZN9-T618</a></li>
<li>Sha, Yao (2011) <a href="https://resolver.caltech.edu/CaltechTHESIS:05112011-205842246">The Mechanisms of the Fuel Cell Oxygen Reduction Reaction on Pt and Other 8-11 Column Metal Surfaces</a>; <a href="https://doi.org/10.7907/7VD4-FY21">10.7907/7VD4-FY21</a></li>
<li>Pascal, Tod Augustin (2010) <a href="https://resolver.caltech.edu/CaltechTHESIS:10262009-204842274">New Approaches to Accurate Predictions of Free Energies: From Proteins to Organic Nanostructures</a>; <a href="https://doi.org/10.7907/P0JH-QM60">10.7907/P0JH-QM60</a></li>
<li>Anderson, Amos Gerald (2010) <a href="https://resolver.caltech.edu/CaltechETD:etd-08122009-151332">Quantum Monte Carlo: Faster, More Reliable, and More Accurate</a>; <a href="https://doi.org/10.7907/KVTV-N754">10.7907/KVTV-N754</a></li>
<li>Mueller, Jonathan Edward (2010) <a href="https://resolver.caltech.edu/CaltechTHESIS:05262010-132424180">Structures, Energetics and Reactions of Hydrocarbons on Nickel</a>; <a href="https://doi.org/10.7907/RVXX-Z341">10.7907/RVXX-Z341</a></li>
<li>Fisher, Daniel Ross (2010) <a href="https://resolver.caltech.edu/CaltechTHESIS:12152009-120706357">Development and Applications of Quantum Monte Carlo</a>; <a href="https://doi.org/10.7907/4YCS-9T88">10.7907/4YCS-9T88</a></li>
<li>Bray, Jenelle Kiara (2010) <a href="https://resolver.caltech.edu/CaltechETD:etd-09032009-105125">The Development and Application of Computational Methods for the Prediction of G Protein-Coupled Receptor Structures</a>; <a href="https://doi.org/10.7907/1655-ES74">10.7907/1655-ES74</a></li>
<li>Kim, Hyungjun (2009) <a href="https://resolver.caltech.edu/CaltechETD:etd-05212009-221851">Multiscale and Multiphysics Computational Frameworks for Nano- and Bio-Systems</a>; <a href="https://doi.org/10.7907/0PFF-R531">10.7907/0PFF-R531</a></li>
<li>Kekenes-Huskey, Peter Michael (2009) <a href="https://resolver.caltech.edu/CaltechETD:etd-05282009-131419">A Monte Carlo-Based Torsion Construction Algorithm for Ligand Design</a>; <a href="https://doi.org/10.7907/A1MQ-3116">10.7907/A1MQ-3116</a></li>
<li>Wiencko, Heather L. (2009) <a href="https://resolver.caltech.edu/CaltechETD:etd-05292009-094239">Adrenergic Receptors: Model Systems for Investigation of GPCR Structure and Function</a>; <a href="https://doi.org/10.7907/S3RC-RZ59">10.7907/S3RC-RZ59</a></li>
<li>Tanrikulu, Ismet Çag˘ler (2009) <a href="https://resolver.caltech.edu/CaltechETD:etd-05232009-204358">Discovery of Aminoacyl-tRNA Synthetase Mutants for the Incorporation of Non Canonical Amino Acids into Proteins</a>; <a href="https://doi.org/10.7907/E7D5-HN96">10.7907/E7D5-HN96</a></li>
<li>Matsuda, Yuki (2009) <a href="https://resolver.caltech.edu/CaltechETD:etd-07222008-023323">Ab Initio Quantum Mechanical Studies in Electronic and Structural Properties of Carbon Nanotubes and Silicon Nanowires</a>; <a href="https://doi.org/10.7907/7FXD-ZQ68">10.7907/7FXD-ZQ68</a></li>
<li>Keith, Jason M. (2008) <a href="https://resolver.caltech.edu/CaltechETD:etd-05272008-095638">Palladium Mediated Activation of Molecular Oxygen</a>; <a href="https://doi.org/10.7907/K4AY-P498">10.7907/K4AY-P498</a></li>
<li>Kam, Victor Wai Tak (2008) <a href="https://resolver.caltech.edu/CaltechETD:etd-05302008-164022">Methods in Computational Protein Design</a>; <a href="https://doi.org/10.7907/S7KW-0M44">10.7907/S7KW-0M44</a></li>
<li>Tong, Chinghang (2008) <a href="https://resolver.caltech.edu/CaltechETD:etd-09172007-160334">Thermodynamic Modeling of Organic Aerosol</a>; <a href="https://doi.org/10.7907/3M7R-9620">10.7907/3M7R-9620</a></li>
<li>Keith, John Andrew (2008) <a href="https://resolver.caltech.edu/CaltechETD:etd-05012008-092352">Computational Insight into Homogeneous Organopalladium Catalysis</a>; <a href="https://doi.org/10.7907/FAS9-DV26">10.7907/FAS9-DV26</a></li>
<li>Niemer, Rachel K. (2007) <a href="https://resolver.caltech.edu/CaltechETD:etd-05292007-060906">Computational Studies of the Structure and Function of Two Lipid-Activated G Protein-Coupled Receptors</a>; <a href="https://doi.org/10.7907/djy6-nw49">10.7907/djy6-nw49</a></li>
<li>Su, Julius Tsu-li (2007) <a href="https://resolver.caltech.edu/CaltechETD:etd-05032007-151410">An Electron Force Field for Simulating Large Scale Excited Electron Dynamics</a>; <a href="https://doi.org/10.7907/d8a3-e876">10.7907/d8a3-e876</a></li>
<li>Heo, Jiyoung (2007) <a href="https://resolver.caltech.edu/CaltechETD:etd-11102006-144154">Computational Studies of Orphan G Protein-Coupled Receptors</a>; <a href="https://doi.org/10.7907/rmmr-sj52">10.7907/rmmr-sj52</a></li>
<li>Solares, Santiago de Jesus (2006) <a href="https://resolver.caltech.edu/CaltechETD:etd-05122006-102528">Multi-Scale Simulations of Single-Walled Carbon Nanotube Atomic Force Microscopy and Density Functional Theory Characterization of Functionalized and Non-Functionalized Silicon Surfaces</a>; <a href="https://doi.org/10.7907/XZR1-C472">10.7907/XZR1-C472</a></li>
<li>Zhang, Qingsong (2005) <a href="https://resolver.caltech.edu/CaltechETD:etd-10292004-152709">Atomistic Simulation of Barium Titanate</a>; <a href="https://doi.org/10.7907/SQ9J-4H73">10.7907/SQ9J-4H73</a></li>
<li>Nielsen, Robert J. (2005) <a href="https://resolver.caltech.edu/CaltechETD:etd-06052005-221223">Computational Strategy in Catalyst Design</a>; <a href="https://doi.org/10.7907/60VH-AQ40">10.7907/60VH-AQ40</a></li>
<li>Sharma, Shantanu (2005) <a href="https://resolver.caltech.edu/CaltechETD:etd-05242005-143543">Prediction of Structure and Antagonist Binding Site in Human and Rodent Chemokine Receptor 1</a>; <a href="https://doi.org/10.7907/j4zd-ny21">10.7907/j4zd-ny21</a></li>
<li>Peng, Joyce Yaochun (2005) <a href="https://resolver.caltech.edu/CaltechETD:etd-05312005-114949">Structure and Function Prediction of Human Muscarinic Acetylcholine Receptor 1, Cation-π Studies, and Protein Design</a>; <a href="https://doi.org/10.7907/XVJR-RN32">10.7907/XVJR-RN32</a></li>
<li>Hall, Spencer Eugene (2005) <a href="https://resolver.caltech.edu/CaltechETD:etd-06012005-235052">Development of a Structure Prediction Method for G-Protein Coupled Receptors</a>; <a href="https://doi.org/10.7907/JN28-5F55">10.7907/JN28-5F55</a></li>
<li>Li, Youyong (2005) <a href="https://resolver.caltech.edu/CaltechETD:etd-12072004-021118">Atomistic Simulation of Macromolecules</a>; <a href="https://doi.org/10.7907/NW1Q-1E81">10.7907/NW1Q-1E81</a></li>
<li>Kalani, M. Yashar S. (2004) <a href="https://resolver.caltech.edu/CaltechETD:etd-05042004-203854">Structure and Function Studies of the Human Dopamine Receptors</a>; <a href="https://doi.org/10.7907/T6NV-7W30">10.7907/T6NV-7W30</a></li>
<li>Deng, Wei-Qiao (2004) <a href="https://resolver.caltech.edu/CaltechETD:etd-05282004-161503">Computation Aided Design in Molecular Nanotechnology</a>; <a href="https://doi.org/10.7907/3EKY-3J53">10.7907/3EKY-3J53</a></li>
<li>Trabanino, Rene Jouvanni (2004) <a href="https://resolver.caltech.edu/CaltechETD:etd-05202004-174324">Prediction of Structure, Function, and Spectroscopic Properties of G-Protein-Coupled Receptors: Methods and Applications</a>; <a href="https://doi.org/10.7907/VHED-4063">10.7907/VHED-4063</a></li>
<li>Lee, Hyon-Jee (2003) <a href="https://resolver.caltech.edu/CaltechETD:etd-05292003-165018">Molecular Dynamics Studies of Metallic Glasses</a>; <a href="https://doi.org/10.7907/ZE5V-VZ33">10.7907/ZE5V-VZ33</a></li>
<li>Kent, David Randall, IV (2003) <a href="https://resolver.caltech.edu/CaltechETD:etd-02252003-134943">New Quantum Monte Carlo Algorithms to Efficiently Utilize Massively Parallel Computers</a>; <a href="https://doi.org/10.7907/V64A-V618">10.7907/V64A-V618</a></li>
<li>Zhang, Deqiang (2003) <a href="https://resolver.caltech.edu/CaltechETD:etd-12182002-190040">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</a>; <a href="https://doi.org/10.7907/CN3G-JH45">10.7907/CN3G-JH45</a></li>
<li>Sobrero, Aquiles Carlos (2002) <a href="https://resolver.caltech.edu/CaltechTHESIS:04212011-075629318">Surface Structure Determination by Low-Energy Electron Diffraction</a>; <a href="https://doi.org/10.7907/9b54-km20">10.7907/9b54-km20</a></li>
<li>Feldmann, Michael Todd (2002) <a href="https://resolver.caltech.edu/CaltechTHESIS:01252012-135136531">Quantum Monte Carlo: Quest to Get Bigger, Faster, and Cheaper</a>; <a href="https://doi.org/10.7907/4D4F-WZ34">10.7907/4D4F-WZ34</a></li>
<li>Zamanakos, Georgios (2002) <a href="https://resolver.caltech.edu/CaltechETD:etd-04062005-082441">A Fast and Accurate Analytical Method for the Computation of Solvent Effects in Molecular Simulations</a>; <a href="https://doi.org/10.7907/B7W8-N760">10.7907/B7W8-N760</a></li>
<li>Wang, Guofeng (2002) <a href="https://resolver.caltech.edu/CaltechTHESIS:11132009-112545862">First Principles Based Multiscale Modeling of Single Crystal Plasticity: Application to BCC Tantalum</a>; <a href="https://doi.org/10.7907/5nyn-ct36">10.7907/5nyn-ct36</a></li>
<li>Qi, Yue (2001) <a href="https://resolver.caltech.edu/CaltechETD:etd-09172008-112120">Molecular dynamics (MD) studies on phase transformation and deformation behaviors in FCC metals and alloys</a>; <a href="https://doi.org/10.7907/9NXP-E603">10.7907/9NXP-E603</a></li>
<li>Debe, Derek Anthony (2001) <a href="https://resolver.caltech.edu/CaltechTHESIS:11122009-154318044">Shaving Levinthal with Occam's Razor: Understanding the Rate Limiting Step in Protein Folding</a>; <a href="https://doi.org/10.7907/p4yc-y834">10.7907/p4yc-y834</a></li>
<li>Kua, Jeremy Soo Pin (2001) <a href="https://resolver.caltech.edu/CaltechTHESIS:11192009-085252318">Computational Studies of Heterogeneous and Homogeneous Catalysis by Late Transition Metals</a>; <a href="https://doi.org/10.7907/M9WN-7M53">10.7907/M9WN-7M53</a></li>
<li>Brandow, Christopher Graham (2001) <a href="https://resolver.caltech.edu/CaltechTHESIS:03192014-141855635">Zirconocenes as Models for Homogeneous Ziegler-Natta Olefin Polymerization Catalysts</a>; <a href="https://doi.org/10.7907/kxb2-wp19">10.7907/kxb2-wp19</a></li>
<li>Carlson, Matt Jeffrey (2000) <a href="https://resolver.caltech.edu/CaltechTHESIS:11192009-084608026">BUFF: A Biological Universal Forcefield Derived from Quantum Mechanics</a>; <a href="https://doi.org/10.7907/5kyh-4402">10.7907/5kyh-4402</a></li>
<li>Montgomery, Wren Bowlan (2000) <a href="https://resolver.caltech.edu/CaltechTHESIS:01102018-113108870">Equation of State for Polymethylmethacrylate (PMMA)</a>; <a href="https://doi.org/10.7907/ADK8-TW81">10.7907/ADK8-TW81</a></li>
<li>Lu, Daqi (2000) <a href="https://resolver.caltech.edu/CaltechTHESIS:10012010-103544088">Theoretical Studies of the Nonlinear Optical Properties of Organic Materials</a>; <a href="https://doi.org/10.7907/myx9-7278">10.7907/myx9-7278</a></li>
<li>Brameld, Kenneth A. (1999) <a href="https://resolver.caltech.edu/CaltechTHESIS:10192009-095619938">Molecular modeling of biological systems : from chitinase A to Z-DNA</a>; <a href="https://doi.org/10.7907/mvyy-4570">10.7907/mvyy-4570</a></li>
<li>Bertsch, Ruth Ann (1998) <a href="https://resolver.caltech.edu/CaltechTHESIS:10192009-084600422">The early events of protein folding : Simulations of polyalanine folding into an alpha-helix</a>; <a href="https://doi.org/10.7907/vewx-3f78">10.7907/vewx-3f78</a></li>
<li>Belmares, Michael Paul (1998) <a href="https://resolver.caltech.edu/CaltechETD:etd-12172004-155023">Molecular Origins of the Thermophysical Properties of Polymers and Modeling of Polymer Permeation by Large Molecules</a>; <a href="https://doi.org/10.7907/vnw1-8367">10.7907/vnw1-8367</a></li>
<li>Iotov, Mihail S. (1998) <a href="https://resolver.caltech.edu/CaltechTHESIS:10232009-112246663">Diffusion in Amorphous Media</a>; <a href="https://doi.org/10.7907/9b0m-2j57">10.7907/9b0m-2j57</a></li>
<li>Faglioni, Francesco (1998) <a href="https://resolver.caltech.edu/CaltechTHESIS:10202009-092753223">Quantum chemical computations of heterogeneous selective oxidation, STM images, and multiple bond reactions</a>; <a href="https://doi.org/10.7907/ksr7-qk84">10.7907/ksr7-qk84</a></li>
<li>Gao, Guanghua (1998) <a href="https://resolver.caltech.edu/CaltechTHESIS:10202009-133456579">Large Scale Molecular Simulations with Application to Polymers and Nano-Scale Materials</a>; <a href="https://doi.org/10.7907/69rm-7y79">10.7907/69rm-7y79</a></li>
<li>McClurg, Richard Beatty (1997) <a href="https://resolver.caltech.edu/CaltechETD:etd-01142008-080911">Homogeneous nucleation theory</a>; <a href="https://doi.org/10.7907/Z011-9767">10.7907/Z011-9767</a></li>
<li>Crellin, Kevin Christopher (1997) <a href="https://resolver.caltech.edu/CaltechTHESIS:10222009-123129177">The investigation of gas-phase ion-molecule reactions with fourier transform ion cyclotron resonance mass spectrometry</a>; <a href="https://doi.org/10.7907/p8bs-x927">10.7907/p8bs-x927</a></li>
<li>Melnik, M. Susan (1997) <a href="https://resolver.caltech.edu/CaltechETD:etd-01162008-075117">Diamond surfaces : interactions with hydrogen and halogens</a>; <a href="https://doi.org/10.7907/gdrt-7n92">10.7907/gdrt-7n92</a></li>
<li>Tsai, Bao-Liang (1997) <a href="https://resolver.caltech.edu/CaltechETD:etd-12062004-112630">First principles studies of semiconductor epitaxial growth</a>; <a href="https://doi.org/10.7907/2CV3-2A62">10.7907/2CV3-2A62</a></li>
<li>Hua, Xinlei (1996) <a href="https://resolver.caltech.edu/CaltechETD:etd-01072008-115130">First principles simulations : development of new density functionals and pseudopotentials and formation mechanism of fullerenes</a>; <a href="https://doi.org/10.7907/r7qa-wt76">10.7907/r7qa-wt76</a></li>
<li>Takeuchi, Toshihiko (1996) <a href="https://resolver.caltech.edu/CaltechTHESIS:11052009-085123252">The Electronic Structure of Distorted Porphyins and Cobalt Schiff Base Derivatives as Novel Enzyme Inhibitors</a>; <a href="https://doi.org/10.7907/py88-c390">10.7907/py88-c390</a></li>
<li>Demiralp, Ersan (1996) <a href="https://resolver.caltech.edu/CaltechETD:etd-09082006-140314">Prediction of structures and properties for organic superconductors</a>; <a href="https://doi.org/10.7907/7p7g-sm17">10.7907/7p7g-sm17</a></li>
<li>Gerdy, James Joseph (1996) <a href="https://resolver.caltech.edu/CaltechTHESIS:10212009-150813700">Accurate Interatomic Potentials for Simulations</a>; <a href="https://doi.org/10.7907/g2gs-kv14">10.7907/g2gs-kv14</a></li>
<li>Lim, Kian-Tat (1995) <a href="https://resolver.caltech.edu/CaltechETD:etd-10152007-143016">Mega-molecular dynamics on highly parallel computers : methods and applications</a>; <a href="https://doi.org/10.7907/e3qc-t131">10.7907/e3qc-t131</a></li>
<li>Bierwagen, Erik Paul (1995) <a href="https://resolver.caltech.edu/CaltechETD:etd-09112007-104050">Computational Studies of Ziegler-Natta Catalysis and Concurrent Resonance Computations</a>; <a href="https://doi.org/10.7907/3w1m-hk72">10.7907/3w1m-hk72</a></li>
<li>Musgrave, Charles Bruce (1995) <a href="https://resolver.caltech.edu/CaltechETD:etd-10192007-104223">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</a>; <a href="https://doi.org/10.7907/7khv-pb17">10.7907/7khv-pb17</a></li>
<li>Kiang, Ching-Hwa (1995) <a href="https://resolver.caltech.edu/CaltechETD:etd-10162007-105256">Physics and chemistry of advanced nanoscale materials : experiment, simulation, and theory</a>; <a href="https://doi.org/10.7907/4t4q-5805">10.7907/4t4q-5805</a></li>
<li>Wang, Neng E. (1995) <a href="https://resolver.caltech.edu/CaltechETD:etd-10292007-104923">Studies in dynamics</a>; <a href="https://doi.org/10.7907/j1ch-3v41">10.7907/j1ch-3v41</a></li>
<li>Langlois, Jean-Marc (1994) <a href="https://resolver.caltech.edu/CaltechETD:etd-12042007-081615">New methods for ab initio quantum mechanical calculations in molecular and crystalline systems</a>; <a href="https://doi.org/10.7907/j75s-5f43">10.7907/j75s-5f43</a></li>
<li>Plaxco, Kevin W. (1994) <a href="https://resolver.caltech.edu/CaltechTHESIS:11112009-144801757">Protein-DNA interactions : molecular modeling and energetics</a>; <a href="https://doi.org/10.7907/fdk3-5402">10.7907/fdk3-5402</a></li>
<li>Perry, Jason Kendrick (1994) <a href="https://resolver.caltech.edu/CaltechTHESIS:11122009-152204878">Alkane activation by first, second, and third row transition metal ions : organometallic chemistry in the gas plate</a>; <a href="https://doi.org/10.7907/cs1d-8f56">10.7907/cs1d-8f56</a></li>
<li>Li, Mo (1994) <a href="https://resolver.caltech.edu/CaltechETD:etd-10052004-121305">Crystal to Glass Transition and its Relation to Melting</a>; <a href="https://doi.org/10.7907/a2hw-gm49">10.7907/a2hw-gm49</a></li>
<li>Muller, Richard P. (1994) <a href="https://resolver.caltech.edu/CaltechTHESIS:10292009-080702117">Development and implementation of ab initio methods for application to large molecules</a>; <a href="https://doi.org/10.7907/gtra-9x03">10.7907/gtra-9x03</a></li>
<li>Park, Changmoon (1993) <a href="https://resolver.caltech.edu/CaltechTHESIS:11112009-114142428">Protein design and simulation. Part I. Protein design. Part II. Protein simulation</a>; <a href="https://doi.org/10.7907/sv6x-9s75">10.7907/sv6x-9s75</a></li>
<li>Miller, Ann Elizabeth (1993) <a href="https://resolver.caltech.edu/CaltechETD:etd-09042007-152645">Ab initio calculations in heterogeneous and homogeneous catalysis : I. Methanol to gasoline with ZSM-5. II. Carbonyl ligand effects on metal-metal bonds</a>; <a href="https://doi.org/10.7907/WRBP-E952">10.7907/WRBP-E952</a></li>
<li>Mathiowetz, Alan Martin (1993) <a href="https://resolver.caltech.edu/CaltechTHESIS:10292009-110407804">Dynamic and Stochastic Protein Simulations: from Peptides to Viruses</a>; <a href="https://doi.org/10.7907/pe34-yy14">10.7907/pe34-yy14</a></li>
<li>Coley, Terry Ronald (1993) <a href="https://resolver.caltech.edu/CaltechTHESIS:10192009-102157942">Prediction of scanning tunneling microscope images by computational quantum chemistry: chemical models and software design</a>; <a href="https://doi.org/10.7907/jey5-ex12">10.7907/jey5-ex12</a></li>
<li>Lang, Gladys Hau-Wan (1993) <a href="https://resolver.caltech.edu/CaltechTHESIS:10222009-160215418">Auxiliary-field Monte Carlo methods for interacting fermions : application to the nuclear shell model</a>; <a href="https://doi.org/10.7907/xh84-k642">10.7907/xh84-k642</a></li>
<li>Karasawa, Naoki (1992) <a href="https://resolver.caltech.edu/CaltechETD:etd-08062007-104316">Simulations of polymer crystals : new methods and applications</a>; <a href="https://doi.org/10.7907/mjj7-qt65">10.7907/mjj7-qt65</a></li>
<li>Donnelly, Robert Edward (1992) <a href="https://resolver.caltech.edu/CaltechTHESIS:10212009-105855010">Modeling and visualizing surfaces</a>; <a href="https://doi.org/10.7907/1d15-vv30">10.7907/1d15-vv30</a></li>
<li>Chen, Guanhua (1992) <a href="https://resolver.caltech.edu/CaltechTHESIS:10132009-131816426">Superconductivities of high-T_c materials and alkali compounds of Buckminsterfullerene</a>; <a href="https://doi.org/10.7907/chz3-cq25">10.7907/chz3-cq25</a></li>
<li>Tahir-Kheli, Jamil (1992) <a href="https://resolver.caltech.edu/CaltechETD:etd-05042006-112846">The infinite range Heisenberg model and high temperature superconductivity</a>; <a href="https://doi.org/10.7907/9JDD-4P11">10.7907/9JDD-4P11</a></li>
<li>Rico, Rudolph J. (1992) <a href="https://resolver.caltech.edu/CaltechTHESIS:10042011-094257165">Quantum-mechanical studies of vanadium oxides</a>; <a href="https://doi.org/10.7907/2set-6e48">10.7907/2set-6e48</a></li>
<li>Guo, Yuejin (1992) <a href="https://resolver.caltech.edu/CaltechTHESIS:10282009-111805575">I. Molecular simulations of buckyball fullerenes. II.  Quantum chemistry studies on high-T_c superconductors.</a>; <a href="https://doi.org/10.7907/jvvc-ry41">10.7907/jvvc-ry41</a></li>
<li>Irikura, Karl Kensuke Mason (1991) <a href="https://resolver.caltech.edu/CaltechETD:etd-06202007-111048">Gas-Phase Chemistry of Organotransition Metal Ions</a>; <a href="https://doi.org/10.7907/REZ3-DD85">10.7907/REZ3-DD85</a></li>
<li>Miller, Gregory Hale (1990) <a href="https://resolver.caltech.edu/CaltechTHESIS:03272015-161328191">The Equation of State and Petrogenesis of Komatiite</a>; <a href="https://doi.org/10.7907/r0pt-2227">10.7907/r0pt-2227</a></li>
<li>Vogelaar, Nancy Swick (1989) <a href="https://resolver.caltech.edu/CaltechTHESIS:08272013-134530519">Structural and Mechanistic Motifs in Membrane Proteins: The Three-Dimensional Modelling of Rhodopsin, Band 3, and the Nicotinic Acetylcholine Receptor</a>; <a href="https://doi.org/10.7907/mgah-n841">10.7907/mgah-n841</a></li>
<li>Smith, David Charles (1989) <a href="https://resolver.caltech.edu/CaltechTHESIS:11052009-142520920">Electronic Structure and Photochemical Reactivity of Binuclear Metal Complexes</a>; <a href="https://doi.org/10.7907/q1gz-dn84">10.7907/q1gz-dn84</a></li>
<li>Naylor, Adel Marie (1989) <a href="https://resolver.caltech.edu/CaltechTHESIS:11132009-134341582">Insights on Enzymes and Polymers from Molecular Dynamics Simulations: Applications to Dihydrofolate Reductase Complexes and Starburst Dendrimers</a>; <a href="https://doi.org/10.7907/0789-jw44">10.7907/0789-jw44</a></li>
<li>McAdon, Mark Herbert (1988) <a href="https://resolver.caltech.edu/CaltechTHESIS:10302009-113153689">New Concepts of Metallic Bonding</a>; <a href="https://doi.org/10.7907/jtpr-6m88">10.7907/jtpr-6m88</a></li>
<li>Brusich, Mark John (1988) <a href="https://resolver.caltech.edu/CaltechTHESIS:10192009-085412529">Theoretical Insights into the Bonding in Thorium Organometallic Complexes: A Comparison with Group IV Transition Metal Chemistry</a>; <a href="https://doi.org/10.7907/89jn-7f38">10.7907/89jn-7f38</a></li>
<li>Schilling, Jerald Bruce (1987) <a href="https://resolver.caltech.edu/CaltechTHESIS:11062009-094101367">Experimental and Theoretical Aspects of Hydrocarbon Activation by Transition Metal Ions in the Gas Phase</a>; <a href="https://doi.org/10.7907/vazp-zt83">10.7907/vazp-zt83</a></li>
<li>Holden, Peter James (1987) <a href="https://resolver.caltech.edu/CaltechTHESIS:11132015-131516478">Extension Theorems for Functions of Vanishing Mean Oscillation</a>; <a href="https://doi.org/10.7907/f7k9-rh88">10.7907/f7k9-rh88</a></li>
<li>Carter, Emily Ann (1987) <a href="https://resolver.caltech.edu/CaltechETD:etd-11212003-111159">Finesse in Quantum Chemistry: Accurate Energetics Relevant for Reaction Mechanisms</a>; <a href="https://doi.org/10.7907/GVJQ-6Y71">10.7907/GVJQ-6Y71</a></li>
<li>Szuromi, Phillip David (1985) <a href="https://resolver.caltech.edu/CaltechTHESIS:01072019-124055656">Studies of Hydrocarbon Reactions on Low-Index Iridium and Platinum Surfaces</a>; <a href="https://doi.org/10.7907/ndxy-rb82">10.7907/ndxy-rb82</a></li>
<li>Winkler, Jay Richmond (1984) <a href="https://resolver.caltech.edu/CaltechETD:etd-02272006-082939">Spectroscopy and Photochemistry of Metal-Oxo Complexes</a>; <a href="https://doi.org/10.7907/DE5E-2Y69">10.7907/DE5E-2Y69</a></li>
<li>McIntyre, Daniel Keith (1983) <a href="https://resolver.caltech.edu/CaltechTHESIS:12022013-142422017">Synthesis and Characterization of 1,1-Di-Tert-Butyldiazene</a>; <a href="https://doi.org/10.7907/y54d-s069">10.7907/y54d-s069</a></li>
<li>Bowman, Robert Clark, Jr. (1983) <a href="https://resolver.caltech.edu/CaltechETD:etd-05152003-105639">Solid-State Proton Nuclear Magnetic Resonance Studies of Hydrogen Site Occupancies, Electronic Structure Properties, and Diffusion Behavior in Transition Metal Hydrides</a>; <a href="https://doi.org/10.7907/w68b-2750">10.7907/w68b-2750</a></li>
<li>Duan, Daniel C. (1983) <a href="https://resolver.caltech.edu/CaltechTHESIS:09032019-103344869">Evidence for a Stereospecific 1,2-Elimination Reaction in a 1,1-Diazene. Synthesis and Decomposition of [N-Phenyl-(Threo-(and Erythro)-2-Deuterio-1-Methylpropl)Amino]Nitrene</a>; <a href="https://doi.org/10.7907/zbfn-1t36">10.7907/zbfn-1t36</a></li>
<li>Wight, Charles Albert (1982) <a href="https://resolver.caltech.edu/CaltechTHESIS:05172018-114924220">Chemical Applications of Infrared Laser Photochemistry</a>; <a href="https://doi.org/10.7907/gskp-8c88">10.7907/gskp-8c88</a></li>
<li>Kaye, Jack Alan (1982) <a href="https://resolver.caltech.edu/CaltechTHESIS:02152012-151600900">Theoretical Studies of Chemical Reaction Dynamics</a>; <a href="https://doi.org/10.7907/vkds-vb56">10.7907/vkds-vb56</a></li>
<li>Rianda, Ronald (1982) <a href="https://resolver.caltech.edu/CaltechTHESIS:11192009-134206825">Electronic Transitions of Molecules by Electron Impact and Multiphoton Ionization Spectroscopy</a>; <a href="https://doi.org/10.7907/b7ed-jg16">10.7907/b7ed-jg16</a></li>
<li>Yocom, Kathryn Mary (1982) <a href="https://resolver.caltech.edu/CaltechTHESIS:10082012-092613083">The Synthesis and Characterization of Inorganic Redox Reagent-Modified Cytochromes C</a>; <a href="https://doi.org/10.7907/5tfv-gx02">10.7907/5tfv-gx02</a></li>
<li>Berman, D. Wayne (1981) <a href="https://resolver.caltech.edu/CaltechTHESIS:06042015-131748215">I. Thermochemistry and Reaction Kinetics of Disolvated Protons by Ion Cyclotron Resonance Spectroscopy. II. Thermochemical Studies of Small Fluorocarbons by Photoionization Mass Spectrometry</a>; <a href="https://doi.org/10.7907/grqm-wy30">10.7907/grqm-wy30</a></li>
<li>Upton, Thomas Hallworth (1980) <a href="https://resolver.caltech.edu/CaltechTHESIS:11192009-140133915">Theoretical Studies of Chemisorption Processes on Nickel Surfaces</a>; <a href="https://doi.org/10.7907/bvbb-m935">10.7907/bvbb-m935</a></li>
<li>Harding, Lawrence Brook (1979) <a href="https://resolver.caltech.edu/CaltechTHESIS:11192009-132537342">Ab Initio Studies of Excited States and Reactions of Organic Molecules</a>; <a href="https://doi.org/10.7907/19z3-cp09">10.7907/19z3-cp09</a></li>
<li>Olafson, Barry Duane (1979) <a href="https://resolver.caltech.edu/CaltechTHESIS:11192009-093719542">A Molecular Description of Oxygen Binding to Hemoglobin</a>; <a href="https://doi.org/10.7907/7fss-rj50">10.7907/7fss-rj50</a></li>
<li>Nascimento, Marco Antonio Chaer (1978) <a href="https://resolver.caltech.edu/CaltechTHESIS:10292009-093916795">I. Theoretical studies of photoionization. II. The electronic structure of linear polyenes</a>; <a href="https://doi.org/10.7907/e7dw-3p39">10.7907/e7dw-3p39</a></li>
<li>Davis, James Hubbard (1977) <a href="https://resolver.caltech.edu/CaltechTHESIS:04242012-160948000">Theoretical Studies of Organic Diradicals and the Thermal Rearrangement of Bicyclopropenyls</a>; <a href="https://doi.org/10.7907/KZ6K-7P42">10.7907/KZ6K-7P42</a></li>
<li>Redondo-Muiño, Antonio (1977) <a href="https://resolver.caltech.edu/CaltechTHESIS:11182009-101146638">Theoretical Studies of Silicon Surfaces Using Finite Clusters</a>; <a href="https://doi.org/10.7907/8M08-WC34">10.7907/8M08-WC34</a></li>
<li>Davis, James Hubbard (1977) <a href="https://resolver.caltech.edu/CaltechTHESIS:04242012-160948000">Theoretical Studies of Organic Diradicals and the Thermal Rearrangement of Bicyclopropenyls</a>; <a href="https://doi.org/10.7907/KZ6K-7P42">10.7907/KZ6K-7P42</a></li>
<li>Walch, Stephen Perry (1977) <a href="https://resolver.caltech.edu/CaltechTHESIS:11092009-084139276">Theoretical Studies of Chemisorption</a>; <a href="https://doi.org/10.7907/TDQT-V666">10.7907/TDQT-V666</a></li>
<li>Surratt, Grover Timothy (1976) <a href="https://resolver.caltech.edu/CaltechTHESIS:11052009-153524672">A Generalized Valence Bond Description of Vacancy and Impurity States in Diamond and Silicon</a>; <a href="https://doi.org/10.7907/YCT9-H995">10.7907/YCT9-H995</a></li>
<li>Wadt, Willard Rogers (1975) <a href="https://resolver.caltech.edu/CaltechTHESIS:11182009-145338541">I. The Electronic Structure of the Criegee Intermediate. II. The Electronic Structure of Pyrazine. III. Approximate Integral Methods and Correlated Wavefunctions</a>; <a href="https://doi.org/10.7907/AKCY-N766">10.7907/AKCY-N766</a></li>
<li>Levin, George Benjamin (1974) <a href="https://resolver.caltech.edu/CaltechTHESIS:11052009-154826608">The Generalized Valence Bond Description of the Pi Electron States of Conjugated Molecules</a>; <a href="https://doi.org/10.7907/n2qd-5z12">10.7907/n2qd-5z12</a></li>
<li>Bobrowicz, Frank Wilhelm (1974) <a href="https://resolver.caltech.edu/CaltechETD:etd-09272005-143127">Investigations of Spin-Eigenfunction Correlated Wavefunctions</a>; <a href="https://doi.org/10.7907/2XSV-1F12">10.7907/2XSV-1F12</a></li>
<li>Guberman, Steven Lawrence (1973) <a href="https://resolver.caltech.edu/CaltechTHESIS:10222009-105738617">I. Projected G1 wavefunctions for He₂. II. Localized wavefunctions for H₂O, OH, and O</a>; <a href="https://doi.org/10.7907/TA01-KS50">10.7907/TA01-KS50</a></li>
<li>Carhart, Raymond Edgar (1973) <a href="https://resolver.caltech.edu/CaltechTHESIS:03042011-095512877">A Detailed Theoretical Study of the Difluoromethane Molecule</a>; <a href="https://doi.org/10.7907/0SRB-RQ87">10.7907/0SRB-RQ87</a></li>
<li>Carhart, Raymond Edgar (1973) <a href="https://resolver.caltech.edu/CaltechTHESIS:03042011-095512877">A Detailed Theoretical Study of the Difluoromethane Molecule</a>; <a href="https://doi.org/10.7907/0SRB-RQ87">10.7907/0SRB-RQ87</a></li>
<li>Melius, Carl Frederick (1973) <a href="https://resolver.caltech.edu/CaltechTHESIS:11202009-152551437">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</a>; <a href="https://doi.org/10.7907/8YKN-Z171">10.7907/8YKN-Z171</a></li>
<li>Huestis, David Lee (1973) <a href="https://resolver.caltech.edu/CaltechTHESIS:11052009-132233582">I. The Projected GI Method and the Excited States of H₂. II. A Superposition Principle for Siegert Resonant States</a>; <a href="https://doi.org/10.7907/zqek-hg39">10.7907/zqek-hg39</a></li>
<li>Ladner, Robert Charles (1972) <a href="https://resolver.caltech.edu/CaltechTHESIS:07092010-164234058">Independent-Particle Potential-Energy Surfaces for Chemical Reactions</a>; <a href="https://doi.org/10.7907/4FTW-PJ83">10.7907/4FTW-PJ83</a></li>
<li>Hay, Philip Jeffrey (1972) <a href="https://resolver.caltech.edu/CaltechTHESIS:11042009-080816954">I. The Generalized Valence Bond Theory of Electronic Structure. II. An Orbital Interpretation of Superexchange in Antiferromagnetic Insulators</a>; <a href="https://doi.org/10.7907/D2P6-BA46">10.7907/D2P6-BA46</a></li>
<li>Hunt, William James (1972) <a href="https://resolver.caltech.edu/CaltechTHESIS:11122009-074130644">Electronic Wavefunctions for Small Molecules</a>; <a href="https://doi.org/10.7907/F5KA-3M29">10.7907/F5KA-3M29</a></li>
<li>Mortola, Albert Patrick (1972) <a href="https://resolver.caltech.edu/CaltechTHESIS:11242009-083723341">Bonding in Transition Metal Compounds</a>; <a href="https://doi.org/10.7907/FJ5R-XJ04">10.7907/FJ5R-XJ04</a></li>
<li>Blint, Richard Joseph (1972) <a href="https://resolver.caltech.edu/CaltechTHESIS:10282009-093808296">I. Orbital Interpretation and Properties of the X¹Σ⁺, a³∏, A¹∏ and ³Σ⁺ States of BH. II. Gas Phase Reactions of Fluoromethyl Cations with Ethylene and Benzene</a>; <a href="https://doi.org/10.7907/KJ13-G054">10.7907/KJ13-G054</a></li>
<li>Kahn, Luis Ricardo (1972) <a href="https://resolver.caltech.edu/CaltechTHESIS:11202009-150548056">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 Li₂ B¹Πu Potential Energy Curve</a>; <a href="https://doi.org/10.7907/P3JP-H317">10.7907/P3JP-H317</a></li>
<li>O'Keefe, Patricia Marie (1971) <a href="https://resolver.caltech.edu/CaltechTHESIS:05132010-113849886">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</a>; <a href="https://doi.org/10.7907/QN5M-CW17">10.7907/QN5M-CW17</a></li>
<li>Surratt, Grover Timothy (1971) <a href="https://resolver.caltech.edu/CaltechTHESIS:04292010-111816149">The Minimum Kinetic Energy Orbital and the Band Structure of Sodium</a>; <a href="https://doi.org/10.7907/2665-JE74">10.7907/2665-JE74</a></li>
<li>Dunning, Thomas Harold, Jr (1970) <a href="https://resolver.caltech.edu/CaltechTHESIS:09272010-083324433">The Excitation Operator Method and the Valence Excited States of Ethylene</a>; <a href="https://doi.org/10.7907/RJ3Z-DE73">10.7907/RJ3Z-DE73</a></li>
<li>Frank, Robert (1970) <a href="https://resolver.caltech.edu/CaltechTHESIS:04302010-075156671">Theoretical correlation of the geometry and magnetic hyperfine splittings of the methyl radical</a>; <a href="https://doi.org/10.7907/5YF2-J383">10.7907/5YF2-J383</a></li>
<li>Wilson, Charles Woodrow, Jr. (1970) <a href="https://resolver.caltech.edu/CaltechTHESIS:11192009-140720848">Molecular Stability and the H₂ + D₂ → 2HD Four Center Exchange Reaction Surface</a>; <a href="https://doi.org/10.7907/PE87-HJ15">10.7907/PE87-HJ15</a></li>
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