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Investigation and Modeling of Binding Modes of Novel Small-Molecule
Nox2 Inhibitors
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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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Charge Separation Dynamics between Semiconductor Nanoparticles and
Molecular Adsorbates
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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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Calculations of Prebiotic Molecules Formed from O(1D) Insertion
Reactions
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Interfacial Electron Transfer Dynamics from Single Molecules and
Quantum Dots Studied by Single-Molecule Fluorescence
Spectroscopy
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