Thesis and Dissertations from CaltechTHESIS
- Korol, Roman (2024) Development
and Applications of Imaginary Time Path Integral Methods; 10.7907/jy10-rf87
- 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
- Brooks, Daniel James (2018) Computational
Investigation of Ionic Diffusion in Polymer Electrolytes for Lithium-Ion
Batteries; 10.7907/ZE9T-V407
- Gethers, Matthew Leroy, III (2018) Therapeutic
Opportunities and Approaches to Sequence Control for Nucleic Acids;
10.7907/WE1E-EZ49
- Dong, Sijia S. (2017) First-Principles-Based
Simulations for G Protein-Coupled Receptor Activation and for
Large-Scale Nonadiabatic Electron Dynamics; 10.7907/Z98C9T8D
- Griffith, Adam Reid (2017) DarwinDock
and GAG-Dock: Methods and Applications for Small Molecule Docking;
10.7907/Z91Z42GS
- 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
- Kirkpatrick, Andrea (2015) Computational
Predictions of G Protein-Coupled Receptor Structures and Binding
Sites; 10.7907/Z9NG4NJG
- Cvicek, Vaclav (2015) Structure
Prediction of G-Protein Coupled Receptors; 10.7907/Z9S46PVG
- 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
- 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
- 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
- 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
- Mishra, Himanshu (2013) Proton
Transfers at the Air-Water Interface; 10.7907/A9HR-PN89
- Theofanis, Patrick Lauren (2012) The
Quantum Electron Dynamics of Materials Subjected to Extreme
Environments; 10.7907/BJ5N-QV45
- Yu, Ted H. (2012) Degradations
and Improvements in PEM Fuel Cell Materials: A Computational Study;
10.7907/0CYM-2B74
- An, Qi (2012) Atomistic
Simulations of Material Properties under Extreme Conditions; 10.7907/E3Z0-1A27
- 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
- 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
- Bray, Jenelle Kiara (2010) The
Development and Application of Computational Methods for the Prediction
of G Protein-Coupled Receptor Structures; 10.7907/1655-ES74
- Anderson, Amos Gerald (2010) Quantum
Monte Carlo: Faster, More Reliable, and More Accurate; 10.7907/KVTV-N754
- Fisher, Daniel Ross (2010) Development
and Applications of Quantum Monte Carlo; 10.7907/4YCS-9T88
- 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
- Kekenes-Huskey, Peter Michael (2009) A
Monte Carlo-Based Torsion Construction Algorithm for Ligand Design;
10.7907/A1MQ-3116
- Wiencko, Heather L. (2009) Adrenergic
Receptors: Model Systems for Investigation of GPCR Structure and
Function; 10.7907/S3RC-RZ59
- Kim, Hyungjun (2009) Multiscale
and Multiphysics Computational Frameworks for Nano- and Bio-Systems;
10.7907/0PFF-R531
- 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
- Matsuda, Yuki (2009) Ab
Initio Quantum Mechanical Studies in Electronic and Structural
Properties of Carbon Nanotubes and Silicon Nanowires; 10.7907/7FXD-ZQ68
- Keith, Jason M. (2008) Palladium
Mediated Activation of Molecular Oxygen; 10.7907/K4AY-P498
- Tong, Chinghang (2008) Thermodynamic
Modeling of Organic Aerosol; 10.7907/3M7R-9620
- Keith, John Andrew (2008) Computational
Insight into Homogeneous Organopalladium Catalysis; 10.7907/FAS9-DV26
- Kam, Victor Wai Tak (2008) Methods
in Computational Protein Design; 10.7907/S7KW-0M44
- Su, Julius Tsu-li (2007) An
Electron Force Field for Simulating Large Scale Excited Electron
Dynamics; 10.7907/d8a3-e876
- Niemer, Rachel K. (2007) Computational
Studies of the Structure and Function of Two Lipid-Activated G
Protein-Coupled Receptors; 10.7907/djy6-nw49
- 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
- Peng, Joyce Yaochun (2005) Structure
and Function Prediction of Human Muscarinic Acetylcholine Receptor 1,
Cation-π Studies, and Protein Design; 10.7907/XVJR-RN32
- Nielsen, Robert J. (2005) Computational
Strategy in Catalyst Design; 10.7907/60VH-AQ40
- Zhang, Qingsong (2005) Atomistic
Simulation of Barium Titanate; 10.7907/SQ9J-4H73
- Hall, Spencer Eugene (2005) Development
of a Structure Prediction Method for G-Protein Coupled Receptors; 10.7907/JN28-5F55
- Sharma, Shantanu (2005) Prediction
of Structure and Antagonist Binding Site in Human and Rodent Chemokine
Receptor 1; 10.7907/j4zd-ny21
- Li, Youyong (2005) Atomistic
Simulation of Macromolecules; 10.7907/NW1Q-1E81
- Trabanino, Rene Jouvanni (2004) Prediction
of Structure, Function, and Spectroscopic Properties of
G-Protein-Coupled Receptors: Methods and Applications; 10.7907/VHED-4063
- 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
- 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
- Kent, David Randall, IV (2003) New
Quantum Monte Carlo Algorithms to Efficiently Utilize Massively Parallel
Computers; 10.7907/V64A-V618
- Lee, Hyon-Jee (2003) Molecular
Dynamics Studies of Metallic Glasses; 10.7907/ZE5V-VZ33
- 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
- Feldmann, Michael Todd (2002) Quantum
Monte Carlo: Quest to Get Bigger, Faster, and Cheaper; 10.7907/4D4F-WZ34
- Wang, Guofeng (2002) First
Principles Based Multiscale Modeling of Single Crystal Plasticity:
Application to BCC Tantalum; 10.7907/5nyn-ct36
- Debe, Derek Anthony (2001) Shaving
Levinthal with Occam’s Razor: Understanding the Rate Limiting Step in
Protein Folding; 10.7907/p4yc-y834
- Qi, Yue (2001) Molecular
dynamics (MD) studies on phase transformation and deformation behaviors
in FCC metals and alloys; 10.7907/9NXP-E603
- Brandow, Christopher Graham (2001) Zirconocenes
as Models for Homogeneous Ziegler-Natta Olefin Polymerization
Catalysts; 10.7907/kxb2-wp19
- Kua, Jeremy Soo Pin (2001) Computational
Studies of Heterogeneous and Homogeneous Catalysis by Late Transition
Metals; 10.7907/M9WN-7M53
- Lu, Daqi (2000) Theoretical
Studies of the Nonlinear Optical Properties of Organic Materials; 10.7907/myx9-7278
- 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
- Brameld, Kenneth A. (1999) [Molecular modeling of biological
systems
-
from chitinase A to
Z-DNA](https://resolver.caltech.edu/CaltechTHESIS:10192009-095619938);
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
- Iotov, Mihail S. (1998) Diffusion
in Amorphous Media; 10.7907/9b0m-2j57
- Gao, Guanghua (1998) Large
Scale Molecular Simulations with Application to Polymers and Nano-Scale
Materials; 10.7907/69rm-7y79
- 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
- Crellin, Kevin Christopher (1997) The
investigation of gas-phase ion-molecule reactions with fourier transform
ion cyclotron resonance mass spectrometry; 10.7907/p8bs-x927
- Hua, Xinlei (1996) First
principles simulations : development of new density functionals and
pseudopotentials and formation mechanism of fullerenes; 10.7907/r7qa-wt76
- Gerdy, James Joseph (1996) Accurate
Interatomic Potentials for Simulations; 10.7907/g2gs-kv14
- Takeuchi, Toshihiko (1996) The
Electronic Structure of Distorted Porphyins and Cobalt Schiff Base
Derivatives as Novel Enzyme Inhibitors; 10.7907/py88-c390
- Demiralp, Ersan (1996) Prediction
of structures and properties for organic superconductors; 10.7907/7p7g-sm17
- Lim, Kian-Tat (1995) Mega-molecular
dynamics on highly parallel computers : methods and applications; 10.7907/e3qc-t131
- 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
- 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
- Kiang, Ching-Hwa (1995) Physics
and chemistry of advanced nanoscale materials : experiment, simulation,
and theory; 10.7907/4t4q-5805
- 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
- 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
- Plaxco, Kevin W. (1994) Protein-DNA
interactions : molecular modeling and energetics; 10.7907/fdk3-5402
- 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
- Coley, Terry Ronald (1993) Prediction
of scanning tunneling microscope images by computational quantum
chemistry: chemical models and software design; 10.7907/jey5-ex12
- Lang, Gladys Hau-Wan (1993) Auxiliary-field
Monte Carlo methods for interacting fermions : application to the
nuclear shell model; 10.7907/xh84-k642
- Chen, Guanhua (1992) Superconductivities
of high-T_c materials and alkali compounds of Buckminsterfullerene;
10.7907/chz3-cq25
- Guo, Yuejin (1992) I.
Molecular simulations of buckyball fullerenes. II. Quantum chemistry
studies on high-T_c superconductors.; 10.7907/jvvc-ry41
- Tahir-Kheli, Jamil (1992) The
infinite range Heisenberg model and high temperature
superconductivity; 10.7907/9JDD-4P11
- Rico, Rudolph J. (1992) Quantum-mechanical
studies of vanadium oxides; 10.7907/2set-6e48
- Karasawa, Naoki (1992) Simulations
of polymer crystals : new methods and applications; 10.7907/mjj7-qt65
- 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
- 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
- Smith, David Charles (1989) Electronic
Structure and Photochemical Reactivity of Binuclear Metal Complexes;
10.7907/q1gz-dn84
- 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
- McAdon, Mark Herbert (1988) New
Concepts of Metallic Bonding; 10.7907/jtpr-6m88
- Schilling, Jerald Bruce (1987) Experimental
and Theoretical Aspects of Hydrocarbon Activation by Transition Metal
Ions in the Gas Phase; 10.7907/vazp-zt83
- 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
- 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
- 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
- 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
- Kaye, Jack Alan (1982) Theoretical
Studies of Chemical Reaction Dynamics; 10.7907/vkds-vb56
- Wight, Charles Albert (1982) Chemical
Applications of Infrared Laser Photochemistry; 10.7907/gskp-8c88
- Yocom, Kathryn Mary (1982) The
Synthesis and Characterization of Inorganic Redox Reagent-Modified
Cytochromes C; 10.7907/5tfv-gx02
- Rianda, Ronald (1982) Electronic
Transitions of Molecules by Electron Impact and Multiphoton Ionization
Spectroscopy; 10.7907/b7ed-jg16
- 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
- Harding, Lawrence Brook (1979) Ab
initio studies of excited states and reactions of organic molecules;
10.7907/19z3-cp09
- Olafson, Barry Duane (1979) A
molecular description of oxygen binding to hemoglobin; 10.7907/7fss-rj50
- 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.; 10.7907/cggh-sb21
- Houle, Frances Anne (1979) Studies
of alkyl free radicals and reaction mechanisms by photoelectron
spectroscopy; 10.7907/zppe-fp18
- Nascimento, Marco Antonio Chaer (1978) I.
Theoretical studies of photoionization. II. The electronic structure of
linear polyenes; 10.7907/e7dw-3p39
- Walch, Stephen Perry (1977) Theoretical
studies of chemisorption; 10.7907/TDQT-V666
- Redondo-Muino, Antonio (1977) Theoretical
studies of silicon surfaces using finite clusters; 10.7907/8M08-WC34
- 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 electron structure of the Criegee intermediates. II. The electronic
structure of pyrazine. III. Approximate integral methods and correlated
wavefunctions; 10.7907/AKCY-N766
- Levin, George Benjamin (1974) The
Generalized Valence Bond Description of the Pi Electron States of
Conjugated Molecules; 10.7907/n2qd-5z12
- Bobrowicz, Frank Wilhelm (1974) Investigations
of spin-eigenfunction correlated wavefunctions; 10.7907/2XSV-1F12
- Huestis, David Lee (1973) I.
The projected GI method and the excited states of H_2. II. A
superposition principle for Seigert resonant states; 10.7907/zqek-hg39
- 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
- Carhart, Raymond E. (1973) A
detailed theoretical study of the difluoromethane molecule; 10.7907/0SRB-RQ87
- Guberman, Steven Lawrence (1973) I.
Projected G1 wavefunctions for He_2. II. Localized wavefunctions for
H_2O, OH, and O; 10.7907/TA01-KS50
- Hunt, William James (1972) Electronic
wavefunctions for small molecules; 10.7907/F5KA-3M29
- Ladner, Robert Charles (1972) Independent-particle
potential-energy surfaces for chemical reactions; 10.7907/4FTW-PJ83
- 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.; 10.7907/P3JP-H317
- 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
- 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
- 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
- Surratt, Grover Timothy (1971) The
minimum kinetic energy orbital and the band structure of sodium; 10.7907/2665-JE74
- Frank, Robert (1970) Theoretical
correlation of the geometry and magnetic hyperfine splittings of the
methyl radical; 10.7907/5YF2-J383
- Wilson, Charles Woodrow (1970) Molecular
stability and the H_2 + D_2 → 2HD four-center exchange reaction
surface; 10.7907/PE87-HJ15
- Dunning, Thomas Harold (1970) The
excitation operator method and the valence excited states of
ethylene; 10.7907/RJ3Z-DE73
- Winter, Nicholas Wilhelm (1970) I.
Numerical solution of exact pair equations. II. Numerical solution of
first-order pair equations; 10.7907/DCXZ-TX32