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Ab initio Molecular Potential Energy Surface Constructionand Molecular Dynamics Simulation for Small Molecules
1 of 10
Dynamics Calculations of Several Atmospheric Reactions on Global
Potential Energy Surfaces
2 of 10
Studies of the Ices and Chiral Molecules in the Interstellar Medium
3 of 10
Quantum Confined Semiconductor Nanocrystals for Efficient Charge
Separation and Solar-to-fuel Conversion
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Understanding Interstellar Chemistry: A Look at Methanol Branching Ratios and the Search for Aminomethanol
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Photoinduced Electron Transfer (ET) Dynamics between MolecularAdsorbates and Semiconductor Nanoparticles with Insulating MetalOxide Overlayers
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Efficient implementations of quantum chemistry methods for strongly
correlated electrons
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Orientation and Vibrational Dynamics of Rhenium Bipyridyl
CO2-Reduction Catalysts on Model Electrode
Surfaces
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Late Transition Metal Oxo Complexes. The Use of Polyoxometalate as a Stabilizing Ligand
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Investigation and Modeling of Binding Modes of Novel Small-Molecule
Nox2 Inhibitors
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