System‐Dependent Dispersion Coefficients for the DFT‐D3 Treatment of Adsorption Processes on Ionic Surfaces

Stephan Ehrlich, Jonas Moellmann, Werner Reckien, +2

ChemPhysChem

EngineeringComputational ChemistryChemistryNew Dispersion CorrectionChemical Engineering +15

Implementation of empirical dispersion corrections to density functional theory for periodic systems

Werner Reckien, Florian Janetzko, Michael F. Peintinger, +1

Journal of Computational Chemistry

Numerical AnalysisEngineeringComputational ChemistryChemistryFunctional Analysis +17

On the role of halides and thiols in additive-assisted copper electroplating

Thi Mien Trung Huynh, Florian Weiss, Nguyen Thi Minh Hai, +7

Electrochimica Acta

Materials ScienceElectrometallurgyEngineeringElectrode-electrolyte InterfaceCorrosion +5

Competitive anion/anion interactions on copper surfaces relevant for Damascene electroplating

N. T. M. Hai, Truc T. Huynh, Alexander Fluegel, +5

Electrochimica Acta

Materials ScienceMaterials EngineeringChemical EngineeringEngineeringSurface Electrochemistry +8

Role of functional groups in surface bonding of planar<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>π</mml:mi></mml:math>-conjugated molecules

Oliver Bauer, Giuseppe Mercurio, Martin Willenbockel, +6

Physical Review B

EngineeringChemistryBonding MechanismMath XmlnsFunctional Groups +16

Theoretical study of the adsorption of benzene on coinage metals

Werner Reckien, Melanie Eggers, Thomas Bredow

Beilstein Journal of Organic Chemistry

EngineeringComputational ChemistryChemistryChemical EngineeringTheoretical Study +14

Theory and Experiment in Concert: Templated Synthesis of Amide Rotaxanes, Catenanes, and Knots

Christoph A. Schalley, Werner Reckien, Sigrid D. Peyerimhoff, +2

Chemistry - A European Journal

Materials ScienceAmide RotaxanesEngineeringChemical BondTrefoil Amide Knots +8

What Are the Reasons for the Kinetic Stability of a Mixture of H₂ and O₂?

Michael Filatov, Werner Reckien, Sigrid D. Peyerimhoff, +1

The Journal of Physical Chemistry A

Towards Allosteric Receptors: Adjustment of the Rotation Barrier of 2,2′‐Bipyridine Derivatives

Stefan Zahn, Werner Reckien, Barbara Kirchner, +3

Chemistry - A European Journal

Adsorption height determination of nonequivalent C and O species of PTCDA on Ag(110) using x-ray standing waves

Giuseppe Mercurio, Oliver Bauer, Martin Willenbockel, +8

Physical Review B

Nonequivalent CEngineeringX-ray Standing WavesChemistryChemical Engineering +16