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1.
Ab Initio Modeling of the Electronic Absorption Spectrum of Previtamin D in Solution
by Zhu, Tianyang, M.S.  California State University, Long Beach. 2017: 80 pages; 10265071.
3.
An Analysis of Artificial Rhodopsin Mimics Using Multiconfigurational Ab Initio Computations
by Huntress, Mark, Ph.D.  Bowling Green State University. 2012: 120 pages; 10631092.
4.
Decomposition of Intermolecular Interactions in ab initio Spectroscopy
by Berquist, Eric John, Ph.D.  University of Pittsburgh. 2018: 290 pages; 11003760.
6.
Computer simulations of acetylcholinesterase inhibition by nerve agent soman
by Sirin, Gulseher Sarah, Ph.D.  New York University. 2013: 176 pages; 3557031.
7.
Simulations of chemical catalysis
by Smith, Gregory K., Ph.D.  The University of New Mexico. 2013: 277 pages; 3612623.
9.
Fundamental physics and device design using the steady-state ab initio laser theory
by Cerjan, Alexander Witte, Ph.D.  Yale University. 2015: 209 pages; 3663625.
10.
Computational Characterization of Human Soluble Calcium-Activated Nucleotidase 1
by Rooklin, David, Ph.D.  New York University. 2012: 166 pages; 3524271.
12.
Enhanced Sampling Development for Accessing Long Time Scale Protein Dynamics
by Pierce, Levi C. T., Ph.D.  University of California, San Diego. 2012: 115 pages; 3512482.
14.
Ab initio nuclear structure calculations for light nuclei
by Cockrell, Chase, Ph.D.  Iowa State University. 2012: 92 pages; 3539352.
16.
Simulation and analysis of cadmium sulfide nanoparticles
by Junkermeier, Chad, Ph.D.  Brigham Young University. 2008: 122 pages; 3345037.
18.
Computational Investigation of Aromatic Oligoamide Foldamers
by Abramyan, Ara M., Ph.D.  University of the Sciences in Philadelphia. 2014: 113 pages; 3647091.
20.
Direct Growth of Graphene-like Films on Single Crystal Quartz Substrates
by Samsonau, Siarhei, Ph.D.  City University of New York. 2013: 108 pages; 3601723.
21.
Understanding Structure and Dynamics of Peptides Using Simulations and Experiments
by Amirkulova, Dilnoza Bakhtiyorovna, Ph.D.  University of Rochester. 2020: 104 pages; 28095555.
22.
Molecular dynamics studies of metallic nanoparticles
by Henz, Brian John, Ph.D.  University of Maryland, College Park. 2009: 174 pages; 3359380.
23.
Molecular Dynamics Investigations of Duplex Columnar Liquid Crystal Phases of Nucleoside Triphosphates
by Yelk, Joseph D., Ph.D.  University of Colorado at Boulder. 2019: 90 pages; 22621555.
24.
Force field development with GOMC, a fast new Monte Carlo molecular simulation code
by Mick, Jason Richard, Ph.D.  Wayne State University. 2016: 171 pages; 10105010.
25.
Computational Study of Toxic Gas Removal by Reactive Adsorption
by Huang, Liangliang, Ph.D.  North Carolina State University. 2012: 203 pages; 3538542.
26.
Tuning the Photochemical Reactivity of Electrocyclic Reactions: A Non-adiabatic Molecular Dynamics Study
by Thompson, Travis W., M.S.  California State University, Long Beach. 2018: 70 pages; 10839950.
28.
Improving Ab-Initio Simulations of Ordering Phenomena in Transition Metal Alloys
by Decolvenaere, Elizabeth, Ph.D.  University of California, Santa Barbara. 2017: 171 pages; 10635463.
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