Goddard, William

Combined from CaltechTHESIS advisor

• Musgrave, Charles Bruce, III (2025) Computational Approaches to Problems in Energy and Sustainability; 10.7907/hnc1-je90
• Gonzalvo i Ulla, Marta (2025) Computational Methods for Nucleic Acid Structure Prediction and G Protein-Coupled Receptor Mechanism Investigation; 10.7907/bxdy-5x58
• Korol, Roman (2024) Development and Applications of Imaginary Time Path Integral Methods; 10.7907/jy10-rf87
• Qiao, Zhuoran (2023) Physics-Informed Neural Approaches for Multiscale Molecular Modeling and Design; 10.7907/48d1-ja21
• Chen, Yalu (2021) Computational Investigation of Nanoscale Electrocatalysts for Clean Energy Conversion; 10.7907/tgw8-c485
• Qian, Jin (2019) From Quantum Mechanics to Experimental Observables: Computational Investigations of Energy-Related Heterogeneous Catalysts; 10.7907/SPEJ-5X35
• Huang, Yufeng (2019) Computational Heterogeneous Electrochemistry – From Quantum Mechanics to Machine Learning; 10.7907/MCGV-Y790
• Gethers, Matthew Leroy, III (2018) Therapeutic Opportunities and Approaches to Sequence Control for Nucleic Acids; 10.7907/WE1E-EZ49
• Brooks, Daniel James (2018) Computational Investigation of Ionic Diffusion in Polymer Electrolytes for Lithium-Ion Batteries; 10.7907/ZE9T-V407
• Griffith, Adam Reid (2017) DarwinDock and GAG-Dock: Methods and Applications for Small Molecule Docking; 10.7907/Z91Z42GS
• Dong, Sijia S. (2017) First-Principles-Based Simulations for G Protein-Coupled Receptor Activation and for Large-Scale Nonadiabatic Electron Dynamics; 10.7907/Z98C9T8D
• Johnson, Samantha Jo Iva (2017) Computational Investigation of Small Molecule Catalysis by Cobalt, Rhodium, and Iridium Molecular Catalysts ; 10.7907/Z9TD9V9K
• Crowley, Jason Michael (2016) Resolution of the Band Gap Prediction Problem for Materials Design; 10.7907/Z9D21VKZ
• Liu, Fan (2016) Classical Force Field Simulations of Biological Processes and Quantum Chemical Computations of Homogeneous Catalysts; 10.7907/Z94M92J2
• Lam, Yan Choi (2015) Synthesis, Oxidation and Photophysics of Perfluoroborated Tetrakis(pyrophosphito)diplatinate (II) and Density Functional Theory (DFT) Study of Electrochemical CO2 Reduction by Mn Catalysts; 10.7907/Z94J0C2D
• Kirkpatrick, Andrea (2015) Computational Predictions of G Protein-Coupled Receptor Structures and Binding Sites; 10.7907/Z9NG4NJG
• Tsai, Ho-Cheng (2015) Quantum Mechanics Studies of Fuel Cell Catalysts and Proton Conducting Ceramics with Validation by Experiment; 10.7907/Z9P55KFW
• Xiao, Hai (2015) First Principles Based Multiparadigm Modeling of Electronic Structures and Dynamics; 10.7907/Z94747T1
• Cvicek, Vaclav (2015) Structure Prediction of G-Protein Coupled Receptors; 10.7907/Z9S46PVG
• Scott, Caitlin Eileen (2014) Role of Conformational Changes in G Protein-Coupled Receptor Activation; 10.7907/Z94747VG
• Liu, Wei-Guang (2014) First-Principle Studies of the Initiation Mechanism of Energetic Materials; 10.7907/Z9445JGM
• 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; 10.7907/WY3F-DZ94
• Mishra, Himanshu (2013) Proton Transfers at the Air-Water Interface; 10.7907/A9HR-PN89
• An, Qi (2012) Atomistic Simulations of Material Properties under Extreme Conditions; 10.7907/E3Z0-1A27
• Yu, Ted H. (2012) Degradations and Improvements in PEM Fuel Cell Materials: A Computational Study ; 10.7907/0CYM-2B74
• Ford, William Chastang (2012) 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; 10.7907/Z9HH6H1Z
• 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; 10.7907/PQ74-HK88
• Theofanis, Patrick Lauren (2012) The Quantum Electron Dynamics of Materials Subjected to Extreme Environments; 10.7907/BJ5N-QV45
• Cheng, Mu-Jeng (2012) Mechanistic Insights into Alkane C-H Activation and Functionalization by Metal Oxide Surfaces and Organometallic Complexes; 10.7907/K4XH-V434
• Sha, Yao (2011) The Mechanisms of the Fuel Cell Oxygen Reduction Reaction on Pt and Other 8-11 Column Metal Surfaces; 10.7907/7VD4-FY21
• Han, Si-ping (2011) DNA Directed Self-Assembly of Carbon Nanotube Structures; 10.7907/3ZN9-T618
• Anderson, Amos Gerald (2010) Quantum Monte Carlo: Faster, More Reliable, and More Accurate; 10.7907/KVTV-N754
• Mueller, Jonathan Edward (2010) Structures, Energetics and Reactions of Hydrocarbons on Nickel; 10.7907/RVXX-Z341
• Pascal, Tod Augustin (2010) New Approaches to Accurate Predictions of Free Energies: From Proteins to Organic Nanostructures; 10.7907/P0JH-QM60
• Fisher, Daniel Ross (2010) Development and Applications of Quantum Monte Carlo; 10.7907/4YCS-9T88
• Bray, Jenelle Kiara (2010) The Development and Application of Computational Methods for the Prediction of G Protein-Coupled Receptor Structures; 10.7907/1655-ES74
• Tanrikulu, Ismet Çag˘ler (2009) Discovery of Aminoacyl-tRNA Synthetase Mutants for the Incorporation of Non Canonical Amino Acids into Proteins; 10.7907/E7D5-HN96
• Kekenes-Huskey, Peter Michael (2009) A Monte Carlo-Based Torsion Construction Algorithm for Ligand Design; 10.7907/A1MQ-3116
• Kim, Hyungjun (2009) Multiscale and Multiphysics Computational Frameworks for Nano- and Bio-Systems; 10.7907/0PFF-R531
• Matsuda, Yuki (2009) Ab Initio Quantum Mechanical Studies in Electronic and Structural Properties of Carbon Nanotubes and Silicon Nanowires; 10.7907/7FXD-ZQ68
• Wiencko, Heather L. (2009) Adrenergic Receptors: Model Systems for Investigation of GPCR Structure and Function; 10.7907/S3RC-RZ59
• Keith, Jason M. (2008) Palladium Mediated Activation of Molecular Oxygen; 10.7907/K4AY-P498
• Keith, John Andrew (2008) Computational Insight into Homogeneous Organopalladium Catalysis; 10.7907/FAS9-DV26
• Tong, Chinghang (2008) Thermodynamic Modeling of Organic Aerosol; 10.7907/3M7R-9620
• Kam, Victor Wai Tak (2008) Methods in Computational Protein Design; 10.7907/S7KW-0M44
• Niemer, Rachel K. (2007) Computational Studies of the Structure and Function of Two Lipid-Activated G Protein-Coupled Receptors; 10.7907/djy6-nw49
• Su, Julius Tsu-li (2007) An Electron Force Field for Simulating Large Scale Excited Electron Dynamics; 10.7907/d8a3-e876
• Heo, Jiyoung (2007) Computational Studies of Orphan G Protein-Coupled Receptors; 10.7907/rmmr-sj52
• 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; 10.7907/XZR1-C472
• Zhang, Qingsong (2005) Atomistic Simulation of Barium Titanate; 10.7907/SQ9J-4H73
• Peng, Joyce Yaochun (2005) Structure and Function Prediction of Human Muscarinic Acetylcholine Receptor 1, Cation-π Studies, and Protein Design; 10.7907/XVJR-RN32
• Hall, Spencer Eugene (2005) Development of a Structure Prediction Method for G-Protein Coupled Receptors; 10.7907/JN28-5F55
• Li, Youyong (2005) Atomistic Simulation of Macromolecules; 10.7907/NW1Q-1E81
• Nielsen, Robert J. (2005) Computational Strategy in Catalyst Design; 10.7907/60VH-AQ40
• Sharma, Shantanu (2005) Prediction of Structure and Antagonist Binding Site in Human and Rodent Chemokine Receptor 1; 10.7907/j4zd-ny21
• Kalani, M. Yashar S. (2004) Structure and Function Studies of the Human Dopamine Receptors; 10.7907/T6NV-7W30
• Deng, Wei-Qiao (2004) Computation Aided Design in Molecular Nanotechnology; 10.7907/3EKY-3J53
• Trabanino, Rene Jouvanni (2004) Prediction of Structure, Function, and Spectroscopic Properties of G-Protein-Coupled Receptors: Methods and Applications; 10.7907/VHED-4063
• Lee, Hyon-Jee (2003) Molecular Dynamics Studies of Metallic Glasses; 10.7907/ZE5V-VZ33
• Kent, David Randall, IV (2003) New Quantum Monte Carlo Algorithms to Efficiently Utilize Massively Parallel Computers; 10.7907/V64A-V618
• 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; 10.7907/CN3G-JH45
• Feldmann, Michael Todd (2002) Quantum Monte Carlo: Quest to Get Bigger, Faster, and Cheaper; 10.7907/4D4F-WZ34
• Sobrero, Aquiles Carlos (2002) Surface Structure Determination by Low-Energy Electron Diffraction; 10.7907/9b54-km20
• Zamanakos, Georgios (2002) A Fast and Accurate Analytical Method for the Computation of Solvent Effects in Molecular Simulations; 10.7907/B7W8-N760
• Wang, Guofeng (2002) First Principles Based Multiscale Modeling of Single Crystal Plasticity: Application to BCC Tantalum; 10.7907/5nyn-ct36
• Brandow, Christopher Graham (2001) Zirconocenes as Models for Homogeneous Ziegler-Natta Olefin Polymerization Catalysts; 10.7907/kxb2-wp19
• Qi, Yue (2001) Molecular dynamics (MD) studies on phase transformation and deformation behaviors in FCC metals and alloys; 10.7907/9NXP-E603
• Kua, Jeremy Soo Pin (2001) Computational Studies of Heterogeneous and Homogeneous Catalysis by Late Transition Metals; 10.7907/M9WN-7M53
• Debe, Derek Anthony (2001) Shaving Levinthal with Occam's Razor: Understanding the Rate Limiting Step in Protein Folding; 10.7907/p4yc-y834
• Carlson, Matt Jeffrey (2000) BUFF: A Biological Universal Forcefield Derived from Quantum Mechanics; 10.7907/5kyh-4402
• Montgomery, Wren Bowlan (2000) Equation of State for Polymethylmethacrylate (PMMA); 10.7907/ADK8-TW81
• Lu, Daqi (2000) Theoretical Studies of the Nonlinear Optical Properties of Organic Materials; 10.7907/myx9-7278
• Brameld, Kenneth A. (1999) Molecular modeling of biological systems : from chitinase A to Z-DNA; 10.7907/mvyy-4570
• Belmares, Michael Paul (1998) Molecular Origins of the Thermophysical Properties of Polymers and Modeling of Polymer Permeation by Large Molecules; 10.7907/vnw1-8367
• Bertsch, Ruth Ann (1998) The early events of protein folding : Simulations of polyalanine folding into an alpha-helix; 10.7907/vewx-3f78
• Faglioni, Francesco (1998) Quantum chemical computations of heterogeneous selective oxidation, STM images, and multiple bond reactions; 10.7907/ksr7-qk84
• Gao, Guanghua (1998) Large Scale Molecular Simulations with Application to Polymers and Nano-Scale Materials; 10.7907/69rm-7y79
• Iotov, Mihail S. (1998) Diffusion in Amorphous Media; 10.7907/9b0m-2j57
• Crellin, Kevin Christopher (1997) The investigation of gas-phase ion-molecule reactions with fourier transform ion cyclotron resonance mass spectrometry; 10.7907/p8bs-x927
• Tsai, Bao-Liang (1997) First principles studies of semiconductor epitaxial growth; 10.7907/2CV3-2A62
• McClurg, Richard Beatty (1997) Homogeneous nucleation theory; 10.7907/Z011-9767
• Melnik, M. Susan (1997) Diamond surfaces : interactions with hydrogen and halogens; 10.7907/gdrt-7n92
• Hua, Xinlei (1996) First principles simulations : development of new density functionals and pseudopotentials and formation mechanism of fullerenes; 10.7907/r7qa-wt76
• Demiralp, Ersan (1996) Prediction of structures and properties for organic superconductors; 10.7907/7p7g-sm17
• Takeuchi, Toshihiko (1996) The Electronic Structure of Distorted Porphyins and Cobalt Schiff Base Derivatives as Novel Enzyme Inhibitors; 10.7907/py88-c390
• Gerdy, James Joseph (1996) Accurate Interatomic Potentials for Simulations; 10.7907/g2gs-kv14
• Kiang, Ching-Hwa (1995) Physics and chemistry of advanced nanoscale materials : experiment, simulation, and theory; 10.7907/4t4q-5805
• 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; 10.7907/7khv-pb17
• Wang, Neng E. (1995) Studies in dynamics; 10.7907/j1ch-3v41
• Bierwagen, Erik Paul (1995) Computational Studies of Ziegler-Natta Catalysis and Concurrent Resonance Computations; 10.7907/3w1m-hk72
• Lim, Kian-Tat (1995) Mega-molecular dynamics on highly parallel computers : methods and applications; 10.7907/e3qc-t131
• Li, Mo (1994) Crystal to Glass Transition and its Relation to Melting; 10.7907/a2hw-gm49
• Perry, Jason Kendrick (1994) Alkane activation by first, second, and third row transition metal ions : organometallic chemistry in the gas plate; 10.7907/cs1d-8f56
• Muller, Richard P. (1994) Development and implementation of ab initio methods for application to large molecules; 10.7907/gtra-9x03
• Langlois, Jean-Marc (1994) New methods for ab initio quantum mechanical calculations in molecular and crystalline systems; 10.7907/j75s-5f43
• Plaxco, Kevin W. (1994) Protein-DNA interactions : molecular modeling and energetics; 10.7907/fdk3-5402
• Coley, Terry Ronald (1993) Prediction of scanning tunneling microscope images by computational quantum chemistry: chemical models and software design; 10.7907/jey5-ex12
• Mathiowetz, Alan Martin (1993) Dynamic and Stochastic Protein Simulations: from Peptides to Viruses; 10.7907/pe34-yy14
• Park, Changmoon (1993) Protein design and simulation. Part I. Protein design. Part II. Protein simulation; 10.7907/sv6x-9s75
• 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; 10.7907/WRBP-E952
• Lang, Gladys Hau-Wan (1993) Auxiliary-field Monte Carlo methods for interacting fermions : application to the nuclear shell model; 10.7907/xh84-k642
• Guo, Yuejin (1992) I. Molecular simulations of buckyball fullerenes. II. Quantum chemistry studies on high-T_c superconductors.; 10.7907/jvvc-ry41
• Karasawa, Naoki (1992) Simulations of polymer crystals : new methods and applications; 10.7907/mjj7-qt65
• Rico, Rudolph J. (1992) Quantum-mechanical studies of vanadium oxides; 10.7907/2set-6e48
• Chen, Guanhua (1992) Superconductivities of high-T_c materials and alkali compounds of Buckminsterfullerene; 10.7907/chz3-cq25
• Tahir-Kheli, Jamil (1992) The infinite range Heisenberg model and high temperature superconductivity; 10.7907/9JDD-4P11
• Donnelly, Robert Edward (1992) Modeling and visualizing surfaces; 10.7907/1d15-vv30
• Irikura, Karl Kensuke Mason (1991) Gas-Phase Chemistry of Organotransition Metal Ions; 10.7907/REZ3-DD85
• Miller, Gregory Hale (1990) The Equation of State and Petrogenesis of Komatiite; 10.7907/r0pt-2227
• Naylor, Adel Marie (1989) Insights on Enzymes and Polymers from Molecular Dynamics Simulations: Applications to Dihydrofolate Reductase Complexes and Starburst Dendrimers; 10.7907/0789-jw44
• Smith, David Charles (1989) Electronic Structure and Photochemical Reactivity of Binuclear Metal Complexes; 10.7907/q1gz-dn84
• Vogelaar, Nancy Swick (1989) Structural and Mechanistic Motifs in Membrane Proteins: The Three-Dimensional Modelling of Rhodopsin, Band 3, and the Nicotinic Acetylcholine Receptor; 10.7907/mgah-n841
• McAdon, Mark Herbert (1988) New Concepts of Metallic Bonding; 10.7907/jtpr-6m88
• Brusich, Mark John (1988) Theoretical Insights into the Bonding in Thorium Organometallic Complexes: A Comparison with Group IV Transition Metal Chemistry; 10.7907/89jn-7f38
• Carter, Emily Ann (1987) Finesse in Quantum Chemistry: Accurate Energetics Relevant for Reaction Mechanisms; 10.7907/GVJQ-6Y71
• Holden, Peter James (1987) Extension Theorems for Functions of Vanishing Mean Oscillation; 10.7907/f7k9-rh88
• Schilling, Jerald Bruce (1987) Experimental and Theoretical Aspects of Hydrocarbon Activation by Transition Metal Ions in the Gas Phase; 10.7907/vazp-zt83
• Szuromi, Phillip David (1985) Studies of Hydrocarbon Reactions on Low-Index Iridium and Platinum Surfaces; 10.7907/ndxy-rb82
• Winkler, Jay Richmond (1984) Spectroscopy and Photochemistry of Metal-Oxo Complexes; 10.7907/DE5E-2Y69
• McIntyre, Daniel Keith (1983) Synthesis and Characterization of 1,1-Di-Tert-Butyldiazene; 10.7907/y54d-s069
• Bowman, Robert Clark, Jr. (1983) Solid-State Proton Nuclear Magnetic Resonance Studies of Hydrogen Site Occupancies, Electronic Structure Properties, and Diffusion Behavior in Transition Metal Hydrides; 10.7907/w68b-2750
• Duan, Daniel C. (1983) 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; 10.7907/zbfn-1t36
• Wight, Charles Albert (1982) Chemical Applications of Infrared Laser Photochemistry; 10.7907/gskp-8c88
• Kaye, Jack Alan (1982) Theoretical Studies of Chemical Reaction Dynamics; 10.7907/vkds-vb56
• Rianda, Ronald (1982) Electronic Transitions of Molecules by Electron Impact and Multiphoton Ionization Spectroscopy; 10.7907/b7ed-jg16
• Yocom, Kathryn Mary (1982) The Synthesis and Characterization of Inorganic Redox Reagent-Modified Cytochromes C; 10.7907/5tfv-gx02
• Berman, D. Wayne (1981) I. Thermochemistry and Reaction Kinetics of Disolvated Protons by Ion Cyclotron Resonance Spectroscopy. II. Thermochemical Studies of Small Fluorocarbons by Photoionization Mass Spectrometry; 10.7907/grqm-wy30
• Upton, Thomas Hallworth (1980) Theoretical Studies of Chemisorption Processes on Nickel Surfaces; 10.7907/bvbb-m935
• Olafson, Barry Duane (1979) A Molecular Description of Oxygen Binding to Hemoglobin; 10.7907/7fss-rj50
• Harding, Lawrence Brook (1979) Ab Initio Studies of Excited States and Reactions of Organic Molecules; 10.7907/19z3-cp09
• Nascimento, Marco Antonio Chaer (1978) I. Theoretical studies of photoionization. II. The electronic structure of linear polyenes; 10.7907/e7dw-3p39
• Redondo-Muiño, Antonio (1977) Theoretical Studies of Silicon Surfaces Using Finite Clusters; 10.7907/8M08-WC34
• Walch, Stephen Perry (1977) Theoretical Studies of Chemisorption; 10.7907/TDQT-V666
• Davis, James Hubbard (1977) Theoretical Studies of Organic Diradicals and the Thermal Rearrangement of Bicyclopropenyls; 10.7907/KZ6K-7P42
• Davis, James Hubbard (1977) Theoretical Studies of Organic Diradicals and the Thermal Rearrangement of Bicyclopropenyls; 10.7907/KZ6K-7P42
• Surratt, Grover Timothy (1976) A Generalized Valence Bond Description of Vacancy and Impurity States in Diamond and Silicon; 10.7907/YCT9-H995
• Wadt, Willard Rogers (1975) I. The Electronic Structure of the Criegee Intermediate. II. The Electronic Structure of Pyrazine. III. Approximate Integral Methods and Correlated Wavefunctions; 10.7907/AKCY-N766
• Bobrowicz, Frank Wilhelm (1974) Investigations of Spin-Eigenfunction Correlated Wavefunctions; 10.7907/2XSV-1F12
• Levin, George Benjamin (1974) The Generalized Valence Bond Description of the Pi Electron States of Conjugated Molecules; 10.7907/n2qd-5z12
• Huestis, David Lee (1973) I. The Projected GI Method and the Excited States of H₂. II. A Superposition Principle for Siegert Resonant States; 10.7907/zqek-hg39
• Carhart, Raymond Edgar (1973) A Detailed Theoretical Study of the Difluoromethane Molecule; 10.7907/0SRB-RQ87
• Carhart, Raymond Edgar (1973) A Detailed Theoretical Study of the Difluoromethane Molecule; 10.7907/0SRB-RQ87
• 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; 10.7907/8YKN-Z171
• Guberman, Steven Lawrence (1973) I. Projected G1 wavefunctions for He₂. II. Localized wavefunctions for H₂O, OH, and O; 10.7907/TA01-KS50
• Hay, Philip Jeffrey (1972) I. The Generalized Valence Bond Theory of Electronic Structure. II. An Orbital Interpretation of Superexchange in Antiferromagnetic Insulators; 10.7907/D2P6-BA46
• Kahn, Luis Ricardo (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 Li₂ B¹Πu Potential Energy Curve; 10.7907/P3JP-H317
• Ladner, Robert Charles (1972) Independent-Particle Potential-Energy Surfaces for Chemical Reactions; 10.7907/4FTW-PJ83
• Blint, Richard Joseph (1972) 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; 10.7907/KJ13-G054
• Mortola, Albert Patrick (1972) Bonding in Transition Metal Compounds; 10.7907/FJ5R-XJ04
• Hunt, William James (1972) Electronic Wavefunctions for Small Molecules; 10.7907/F5KA-3M29
• Surratt, Grover Timothy (1971) The Minimum Kinetic Energy Orbital and the Band Structure of Sodium; 10.7907/2665-JE74
• 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; 10.7907/QN5M-CW17
• Wilson, Charles Woodrow, Jr. (1970) Molecular Stability and the H₂ + D₂ → 2HD Four Center Exchange Reaction Surface; 10.7907/PE87-HJ15
• Frank, Robert (1970) Theoretical correlation of the geometry and magnetic hyperfine splittings of the methyl radical; 10.7907/5YF2-J383
• Dunning, Thomas Harold, Jr (1970) The Excitation Operator Method and the Valence Excited States of Ethylene; 10.7907/RJ3Z-DE73