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Publications in Theoretical Chemistry

Quantitative Determination of Activation Energies in Mechanochemical Reactions

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2016English

Kinetic Studies of the BrO + ClO Cross-Reaction Over the Range T = 246–314 K

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2014English

Activated Graphene as a Material for Supercapacitor Electrodes: Effects of Surface Area, Pore Size Distribution and Hydrophilicity

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2019English

Photo-Induced Dynamics of the Heme Centers in Cytochrome Bc1

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2015English

Structure of a Liquid/Liquid Interface During Solvent Extraction Combining X-Ray and Neutron Reflectivity Measurements

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2015English

Accurate Force Fields and Methods for Modelling Organic Molecular Crystals at Finite Temperatures

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2016English

In Situ Spectroscopic Investigation of Oxidative Dehydrogenation and Disproportionation of Benzyl Alcohol

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2013English

Electrochemical Reductive Desorption of Alkyl Self-Assembled Monolayers Studied in Situ by Spectroscopic Ellipsometry: Evidence for Formation of a Low Refractive Index Region After Desorption

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2014English

Understanding Photosynthetic Light-Harvesting: A Bottom Up Theoretical Approach

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2013English

Kinetics of the Reversible Inclusion of Flavopereirine in Cucurbit[7]uril

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2017English

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