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Potential energy surface and applications to carbon dioxide-water, carbon dioxide clathrate hydrate and hydrated HCl system
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An Investigation of Methanol Photolysis Branching Ratios and Their Implications for Chemistry in the Interstellar Medium
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Structural Factors of Radical-Enhanced Intersystem Crossing of Organic Chromophores
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Size Dependence of Gold Nanoparticles – How Site-Specific Conjugation to Dihydrofolate Reductase Alters Characteristics
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The Study of Interstellar Ice Analogues
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Simulation of Membrane Proteins and Lipids: Dynamic Behavior of a Small Antimicrobial Peptide
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Automatic active space selection for the driven similarity renormalization group method
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The Dynamics and Kinetics of Proton Related Biological Processes
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Enzyme Dynamics Elucidated via Temperature Jump Fluorescence Spectroscopy
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Changes in State: Simulations of Aggregation and Ordering in Finite Systems
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Single Molecule Study of Fluorescence from Organic Dyes at Interfaces
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I. Self-Assembly of Thioether-Modified Cationic Surfactants
II. Electrostatic Binding among Equilibrating 2-D and 3-D
Self-Assemblies
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Paclitaxel and Cyclostreptin in theTubulin Binding Site
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Orientation and Vibrational Dynamics of Rhenium Bipyridyl
CO2-Reduction Catalysts on Model Electrode
Surfaces
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Charge Separation in Polyoxometalate-Based Systems for Solar Energy Production
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Efficient implementations of quantum chemistry methods for strongly
correlated electrons
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Simulations of Lipid Sorting Effects near Transmembrane
Peptide
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Photoinduced Electron Transfer (ET) Dynamics between MolecularAdsorbates and Semiconductor Nanoparticles with Insulating MetalOxide Overlayers
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Understanding Interstellar Chemistry: A Look at Methanol Branching Ratios and the Search for Aminomethanol
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Reaction Dynamics and Vibrational Studies of Atmospheric Species on Potential Energy Surfaces
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