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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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Dynamics Calculations of Several Atmospheric Reactions on Global
Potential Energy Surfaces
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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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Spectroscopic studies of molecules that challenge computational
chemistry
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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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Elasticity and Structure of Self-Assembled Systems with Defects and
Inclusions
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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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Methanol Photodissociation as a Case Study of Complex
Interstellar Organic Chemistry
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Deuteration Affects the Photodissociation of Formaldehyde
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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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Line tension assisted membrane permeation at the transition temperature in mixed phase lipid bilayers
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Reaction Dynamics and Vibrational Studies of Atmospheric Species on Potential Energy Surfaces
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Theoretical Studies of the Vibrational Spectra and Relaxation Dynamics of Ice and Water
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Computational Studies on the Anharmonic Dynamics of Molecular Clusters
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Astrochemistry in Star-forming Regions: LaboratoryMillimeter-Submillimeter Spectroscopy and BroadbandAstronomical Line Surveys
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