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Publications in Theoretical Chemistry

Pyrene: Hydrogenation, Hydrogen Evolution, and Π-Band Model

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2011English

Communication: Broad Manifold of Excitonic States in Light-Harvesting Complex 1 Promotes Efficient Unidirectional Energy Transfer in Vivo

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2017English

Effects of Anisotropic Interaction-Induced Properties of Hydrogen-Rare Gas Compounds on Rototranslational Raman Scattering Spectra: Comprehensive Theoretical and Numerical Analysis

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2016English

Transition-Metal Dioxides: A Case for the Intersite Term in Hubbard-Model Functionals

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2011English

Effects of Ordered Islands on Surface Resistivity: Ni on Au(111)

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2017English

An Algorithm to Locate Optimal Bond Breaking Points on a Potential Energy Surface for Applications in Mechanochemistry and Catalysis

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2017English

Kinetics of the Sulfur Oxidation on Palladium: A Combined in Situ X-Ray Photoelectron Spectroscopy and Density-Functional Study

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2012English

Two-Color Two-Photon Excited Fluorescence of Indole: Determination of Wavelength-Dependent Molecular Parameters

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2015English

Molecular Dynamics Simulation of the Spherical Electrical Double Layer of a Soft Nanoparticle: Effect of the Surface Charge and Counterion Valence

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2012English

Motion-Adapted Pulse Sequences for Oriented Sample (OS) Solid-State NMR of Biopolymers

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2013English

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