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Computational Studies on the Anharmonic Dynamics of Molecular Clusters
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Single Quantum Dot Electron Transfer Dynamics
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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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Monte Carlo simulation and theoretical analysis of self-assembled semiflexible equilibrium polymers
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Spectroscopic studies of molecules that challenge computational
chemistry
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A Journey towards the Construction and Operation of a Photoelectron Velocity-Map Imaging Spectrometer
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CO2 Reduction Catalyzed by Mercaptopteridine
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Electronic and Photoionization Spectroscopy of Heavy Metal-Containing Diatomic Molecules
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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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Part I: Conformational Analysis of Bioactive Molecules inSolutionPart II: Structure-Based Design of Selective Inhibitors ofCyclin-Dependent Kinase 7
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Charge Separation Dynamics between Semiconductor Nanoparticles and
Molecular Adsorbates
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Theoretical Studies of Unusual Molecular Vibrational
Dynamics
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Interfacial Electron Transfer Dynamics between Organic Molecular
Adsorbates and Semiconductor Nanoparticles
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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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Dynamics Calculations of Several Atmospheric Reactions on Global
Potential Energy Surfaces
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Quantum Mechnical Study of Molecular Processes: From Gas Phase to Nano Phase
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Quantum Confined Semiconductor Nanocrystals for Efficient Charge
Separation and Solar-to-fuel Conversion
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Reaction Dynamics and Vibrational Studies of Atmospheric Species on Potential Energy Surfaces
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Simulations of Lipid Sorting Effects near Transmembrane
Peptide
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