1 |
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Small Polaron Conduction in Transition Metal Oxides and Excited State Recombination in Two-Dimensional Materials from First-Principles
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Smart, Tyler J
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University of California, Santa Cruz. : ProQuest Dissertations & Theses
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530
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2021
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2 |
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Electronic Excitations, Phonons, and Electron-phonon Coupling in Acenes
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Brown-Altvater, Florian
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University of California, Berkeley. : ProQuest Dissertations & Theses
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620.11
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2019
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3 |
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Applications and Development of the MMPBSA Method for Rational Drug Design
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Greene, D'Artagnan
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University of California, Irvine. : ProQuest Dissertations & Theses
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574
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2019
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4 |
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Implementation of Methods to Accurately Predict Transition Pathways and the Underlying Potential Energy Surface of Biomolecular Systems
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Ghoreishi, Delaram
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University of Florida. : ProQuest Dissertations & Theses
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530
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2019
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5 |
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Ab Initio Methods for Modeling the Thermodynamics of Molecules Adsorbed in Zeolites
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Bettinson, Lance
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University of California, Berkeley. : ProQuest Dissertations & Theses
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542
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2022
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6 |
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Expanding the Electronic Structure Toolkit for f-Element Chemistry: Advances, Best Practices, and Examples
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Yu, Jason M
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University of California, Irvine. : ProQuest Dissertations & Theses
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542
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2022
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7 |
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Molecular Insight into Nonlinear Transport Behaviors
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Gao, Ya
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University of California, Berkeley. : ProQuest Dissertations & Theses
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540
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2021
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8 |
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Design and Verification of Modular Components in Thermodynamic Binding Networks
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Haley, David Russell
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University of California, Davis. : ProQuest Dissertations & Theses
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519
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2021
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9 |
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Computational Redesign of Channel Proteins, Enzymes, and Antibodies
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Chowdhury, Ratul
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The Pennsylvania State University. : ProQuest Dissertations & Theses
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500
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2020
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10 |
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Atomistic-Simulations of Silicate Glasses: Surface Water Reaction and Mechanochemical Wear Process
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Hahn, Seung Ho
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The Pennsylvania State University. : ProQuest Dissertations & Theses
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540
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2020
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