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1.
Interpreting Time-Resolved Spectra and Excited State Reactivity with Computational Methods
by Lamb, Robert, Ph.D.  Mississippi State University. 2020: 281 pages; 27838297.
2.
Exotic Ordered and Disordered Many-Particle Systems with Novel Properties
by Zhang, Ge, Ph.D.  Princeton University. 2017: 374 pages; 10622528.
3.
Computational Methods for Modeling Enzymes
by Bertolani, Steve James, Ph.D.  University of California, Davis. 2018: 310 pages; 10928544.
4.
Computational Design of Protein-Ligand Interfaces Using RosettaLigand
by Allison, Brittany Ann, Ph.D.  Vanderbilt University. 2016: 155 pages; 13834927.
5.
Actinide Hybrid Materials: Experimental and Computational Metrics for Assembly
by Surbella, Robert Gian, III, Ph.D.  The George Washington University. 2018: 405 pages; 10743264.
6.
Computationally Advancing the Predictive Ppower of the Nanoporous Materials Genome
by Witman, Matthew D., Ph.D.  University of California, Berkeley. 2019: 180 pages; 13860128.
7.
Efficient Computational Methods for the Study of Charge Transport in Disordered Organic Semiconductors
by Brown, J. S., Ph.D.  University of Colorado at Boulder. 2019: 153 pages; 27663249.
8.
Molecular Dynamics Study of Polymers and Atomic Clusters
by Sponseller, Daniel Ray, Ph.D.  George Mason University. 2017: 137 pages; 10685723.
10.
Method Development of the Competitive Secondary Kinetic Isotope Effect Measurement for Hydride Transfer Reactions
by Wilhelm, Samantha, M.S.  Southern Illinois University at Edwardsville. 2019: 161 pages; 22592087.
11.
The Importance of Thermal Expansion in the Simulation of Molecular Crystals
by McKinley, Jessica Lynee, Ph.D.  University of California, Riverside. 2019: 263 pages; 13896940.
12.
Quantifying Protonation State Effects in Protein-ligand Interaction
by Rustenburg, AriĆ«n Sebastiaan, Ph.D.  Weill Medical College of Cornell University. 2019: 308 pages; 27543710.
14.
Cu, Zn-Based Catalysts for Methanol Synthesis
by Schumann, Julia, Dr.Nat.  Technische Universitaet Berlin (Germany). 2015: 179 pages; 10697496.
16.
Novel porphyrin anion receptors: Synthesis, uses in sensors and modeling of binding
by Patko, Thomas Andrew, M.S.  California State University, Long Beach. 2009: 155 pages; 1466298.
17.
Computational studies of solid state materials for practical applications
by Stott, Amanda, Ph.D.  The University of Alabama. 2012: 259 pages; 3511091.
19.
Drug discovery through combination of computational screening and design, chemical synthesis and biological evaluations
by Berger, William T., Ph.D.  State University of New York at Stony Brook. 2013: 349 pages; 3608125.
21.
Computational Studies of Protein-Inhibitor Interactions
by Mohammadi, Mohammadjavad, Ph.D.  University of New Hampshire. 2019: 258 pages; 13885097.
22.
Experimental and Computational Studies for Various Organic Systems
by Xia, Shijing, Ph.D.  The Ohio State University. 2008: 356 pages; 10631472.
23.
Computational Studies on Biomolecular Diffusion and Electrostatics
by Wang, Nuo, Ph.D.  University of California, San Diego. 2015: 117 pages; 3731932.
24.
Computational and pharmacological modeling of membrane proteins
by Babakhani, Arneh, Ph.D.  University of California, San Diego. 2009: 178 pages; 3352453.
25.
Numerical and Computational Solutions for Biochemical Kinetics, Druggability, and Simulation
by Votapka, Lane William, Ph.D.  University of California, San Diego. 2016: 280 pages; 10062341.
26.
Computational Characterization of Human Soluble Calcium-Activated Nucleotidase 1
by Rooklin, David, Ph.D.  New York University. 2012: 166 pages; 3524271.
27.
Computational Simulation of Solution Phase NADH/NAD + Model Reactions
by Jafari, Mina, M.S.  Southern Illinois University at Edwardsville. 2014: 53 pages; 1565803.
29.
Computational approaches to anti-toxin therapies and biomarker identification
by Swett, Rebecca Jane, Ph.D.  Wayne State University. 2013: 253 pages; 3601751.
30.
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