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Publications in Theoretical Chemistry

Molecular Dynamics Involving Proton Exchange of a Protic Ionic Liquid--Water Mixture Studied by NMR Spectroscopy

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2019English

Dynamic and Static Behavior of Hydrogen Bonds of the X–H⋯π Type (X = F, Cl, Br, I, RO and RR′N; R, R′ = H or Me) in the Benzene Π-System, Elucidated by QTAIM Dual Functional Analysis

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2015English

Cyclic Dipeptide Immobilization on Au(111) and Cu(110) Surfaces

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2014English

Interfacial Structuring of Non-Halogenated Imidazolium Ionic Liquids at Charged Surfaces: Effect of Alkyl Chain Length

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2020English

Influence of Intermolecular Interactions on Solid State Luminescence of Imidazopyridines: Theoretical Interpretations Using FMO-TDDFT and ONIOM Approaches

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2014English

Photodissociation of Isobutene at 193 Nm

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2012English

Size-Dependent Auger Spectra and Two-Hole Coulomb Interaction of Small Supported Cu-Clusters

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2013English

Natural Abundance14N And15N Solid-State NMR of Pharmaceuticals and Their Polymorphs

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2016English

Effect of Nanostructured Ceria as Support for the Iron Catalysed Hydrogenation of CO2 Into Hydrocarbons

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2016English

Near Edge X-Ray Absorption Mass Spectrometry of Gas Phase Proteins: The Influence of Protein Size

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2016English

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