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The Dynamics and Kinetics of Proton Related Biological Processes
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Physical Properties and Dynamics of Excitons in Two-Dimensional Semiconductor Nanoplatelets for Lasing and Solar-to-Fuel Conversion
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Exploring Grain Boundaries and Phase Boundaries Through Monte Carlo Simulation
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Changes in State: Simulations of Aggregation and Ordering in Finite Systems
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Data-Driven Engineering of Therapeutic Enzymes
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Computational Studies on the Anharmonic Dynamics of Molecular Clusters
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Heterogeneity in fast-folding beta proteins
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Theoretical Studies of the Vibrational Spectra and Relaxation Dynamics of Ice and Water
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Development of Microfluidic Mixing Techniques to study Enzymatic Reactions
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Reaction Dynamics and Vibrational Studies of Atmospheric Species on Potential Energy Surfaces
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Electronic and Photoionization Spectroscopy of Heavy Metal-Containing Diatomic Molecules
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A Journey towards the Construction and Operation of a Photoelectron Velocity-Map Imaging Spectrometer
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Line tension assisted membrane permeation at the transition temperature in mixed phase lipid bilayers
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Photoinduced Electron Transfer (ET) Dynamics between MolecularAdsorbates and Semiconductor Nanoparticles with Insulating MetalOxide Overlayers
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Quantum Mechnical Study of Molecular Processes: From Gas Phase to Nano Phase
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Part I: Structure and Function in the NMDA Ligand Binding DomainPart II: Comparison of Paclitaxel Analogs through MolecularDynamics Simulation; Solution Conformations of Cyclic Peptides
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Molecular simulations of lipid systems: Edge stability and structure in pure and mixed bilayers
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Ab initio Molecular Potential Energy Surface Constructionand Molecular Dynamics Simulation for Small Molecules
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Deuteration Affects the Photodissociation of Formaldehyde
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Computational Studies of Ligand Protein Interactions Part I: TheT-Taxol Conformation Part II: Elucidating Interdependent BindingSites on Tubulin
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