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Publications in Theoretical Chemistry

Faceting Preferences for AuN and PdN Nanoclusters With High-Symmetry Motifs

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2013English

Water-Mediated Network in the Resistance Mechanism of Fosfomycin

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2018English

Exploration of Gated Ligand Binding Recognizes an Allosteric Site for Blocking FABP4–protein Interaction

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2015English

A General View on the Reactivity of the Oxygen-Functionalized Graphene Basal Plane

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2016English

Acid- And Hydrogen-Bonding-Induced Switching Between 22-Π and 18-Π Electron Conjugation in 2-Aminothiazolo[4,5c]porphycenes

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2017English

In Situ FTIR Study on the Formation and Adsorption of CO on Alumina-Supported Noble Metal Catalysts From H2 and CO2 in the Presence of Water Vapor at High Pressures

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2012English

Monitoring Photo-Induced Population Dynamics in Metastable Linkage Isomer Crystals: A Crystallographic Kinetic Study of [Pd(Bu4dien)NO2]BPh4

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2018English

An in Situ FTIR Spectroscopic Study of the Electrochemical Oxidation of Ethanol at a Pb-Modified Polycrystalline Pt Electrode Immersed in Aqueous KOH

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2013English

Molecular Dynamics in Azobenzene Liquid Crystal Polymer Films Measured by Time-Resolved Techniques

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2014English

Mapping a Single-Molecule Folding Process Onto a Topological Space

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2019English

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