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Publications in Theoretical Chemistry

Fine Tuning and Orientation Control of Surface Cu Complexes on TiO2(110) Premodified With Mercapto Compounds: The Effect of Different Mercapto Group Positions

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2013English

Chemistry in Solution: Recent Techniques and Applications Using Soft X-Ray Spectroscopy

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2012English

Correction: Formic Acid Catalyzed Isomerization of Protonated Cytosine: A Lower Barrier Reaction for Tautomer Production of Potential Biological Importance

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2017English

Miscibility Studies of Two Twist-Bend Nematic Liquid Crystal Dimers With Different Average Molecular Curvatures. A Comparison Between Experimental Data and Predictions of a Landau Mean-Field Theory for the NTB–N Phase Transition

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2016English

Photochemistry of 2-Butenedial and 4-Oxo-2-Pentenal Under Atmospheric Boundary Layer Conditions

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2019English

An Optimized Charge Penetration Model for Use With the AMOEBA Force Field

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2017English

Cooperative Hydrogen Bonds Form a Pseudocycle Stabilizing an Isolated Complex of Isocyanic Acid With Urea

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2017English

Varying Oxygen Coverage on Cu55 and Its Effect on CO Oxidation

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2019English

A Water-Soluble Tin(iv) Porphyrin as a Bioinspired Photosensitiser for Light-Driven Proton-Reduction

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2014English

Direct Electron Irradiation of DNA in a Fully Aqueous Environment. Damage Determination in Combination With Monte Carlo Simulations

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2017English

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