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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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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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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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CO2 Reduction Catalyzed by Mercaptopteridine
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Spectroscopic studies of molecules that challenge computational
chemistry
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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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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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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 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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