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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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Orientation and Vibrational Dynamics of Rhenium Bipyridyl
CO2-Reduction Catalysts on Model Electrode
Surfaces
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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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Quantum Confined Semiconductor Nanocrystals for Efficient Charge
Separation and Solar-to-fuel Conversion
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Recombinant Site Specific Labeling of Proteins with IR Probes
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Dynamics Calculations of Several Atmospheric Reactions on Global
Potential Energy Surfaces
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Interfacial Electron Transfer Dynamics between Organic Molecular
Adsorbates and Semiconductor Nanoparticles
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Theoretical Studies of Unusual Molecular Vibrational
Dynamics
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Validation of Receptor-Based Drug Design and Applications in the
Study of IKKs, Truncated Taxane and LRH-1
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Charge Separation Dynamics between Semiconductor Nanoparticles and
Molecular Adsorbates
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Gated Proton Transfer Reactions at Low Temperatures in
D2O

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CO2 Reduction Catalyzed by Mercaptopteridine
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Spectroscopic studies of molecules that challenge computational
chemistry
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Electron Transfer Kinetics in a Triad Photo-anode for Light-driven
Water-splitting
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Gas Phase Molecular Spectroscopy: Electronic Spectroscopy of
Combustion Intermediates, Chlorine Azide Kinetics, and
Rovibrational Energy Transfer in Acetylene
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Single Quantum Dot Electron Transfer Dynamics
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High Resolution THz Spectroscopy of Astrophysically Relevant Ions
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Single- and Double-Component Atomistic Models of
Phosphatidylcholine Lipid Bilayers in the Gel and Liquid
Crystalline Phases
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Photo-induced Charge Carrier Dynamics in Artificial Atoms,
Molecules, and Solids Studied by Transient Absorption Spectroscopy
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Spectroscopic Study of Kinetic Processes Occurring upon
Photoexcitation of Alkali Metal Vapors Mixed with Rare Gases
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Calculations of Prebiotic Molecules Formed from O(1D) Insertion
Reactions
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Elasticity and Structure of Self-Assembled Systems with Defects and
Inclusions
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Interfacial Electron Transfer Dynamics from Single Molecules and
Quantum Dots Studied by Single-Molecule Fluorescence
Spectroscopy
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Semiconductor Nanomaterials in Photocatalytic Bipyridine Reduction
and H2 Generation
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Photoelectron Velocity Map Imaging Spectroscopy of Small
Beryllium-Containing Anions
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Semiconductor Nanoparticle-Protein Hybrid Systems for Solar
Hydrogen Production and Photo-Triggered Mechanistic Studies
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Development and Applications of Orthogonality Constrained Density
Functional Theory for the Accurate Simulation of X-Ray Absorption
Spectroscopy
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Potential Energy Surfaces and the Applications to Reaction Dynamics
and Molecular Vibrations
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Engineering Asymmetric Peptide Membranes
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Charge Transfer Dynamics in Homogeneous and Heterogeneous
Artificial Photosynthetic Systems
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Electronic Spectroscopy of Polycyclic Aromatic Hydrocarbons (PAHs)
and Group IIA Metallic Oxides
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Methanol Photodissociation as a Case Study of Complex
Interstellar Organic Chemistry
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Synthesis and Excited State Dynamics of Oligothiophene-Nitronyl
Nitroxides
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Investigating the Molecular Complexity of the Interstellar Medium
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Fast Mixing Reveals Two-state Folding of Apomyoglobin
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Spectroscopic Characterization of Matrix Isolated Transient Species
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Monte Carlo simulation and theoretical analysis of self-assembled semiflexible equilibrium polymers
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Deuteration Affects the Photodissociation of Formaldehyde
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Part I: Conformational Analysis of Bioactive Molecules inSolutionPart II: Structure-Based Design of Selective Inhibitors ofCyclin-Dependent Kinase 7
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Ab initio Molecular Potential Energy Surface Constructionand Molecular Dynamics Simulation for Small Molecules
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Molecular simulations of lipid systems: Edge stability and structure in pure and mixed bilayers
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Quantum Mechnical Study of Molecular Processes: From Gas Phase to Nano Phase
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Photoinduced Electron Transfer (ET) Dynamics between MolecularAdsorbates and Semiconductor Nanoparticles with Insulating MetalOxide Overlayers
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Paclitaxel and Cyclostreptin in theTubulin Binding Site
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Single Molecule Study of Fluorescence from Organic Dyes at Interfaces
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Line tension assisted membrane permeation at the transition temperature in mixed phase lipid bilayers
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Fluorescence Quenching in single CdSe/CdS Dot-In-Rod Nanostructures using Modified Atomic Force Microscopy tips
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A Journey towards the Construction and Operation of a Photoelectron Velocity-Map Imaging Spectrometer
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Electronic and Photoionization Spectroscopy of Heavy Metal-Containing Diatomic Molecules
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