Publications of Alexandre Tkatchenko
All genres
Journal Article (101)
2014
Journal Article
, Wei Liu, and Alexandre Tkatchenko: Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces.
Journal Article
, Vivekanand Gobre and Alexandre Tkatchenko: Many-body van der Waals interactions in molecules and condensed matter.
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, Alexandre Tkatchenko, Matthias Scheffler and : Accurate and efficient treatment of many-body van der Waals interactions: Theory and applications.
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Dostert, Karl-Heinz, Casey O'Brien, , Aditya Ashi Savara, Wei Liu, , Alexandre Tkatchenko and Swetlana Schauermann: Interaction of Isophorone with Pd(111): A Combination of Infrared Reflection–Absorption Spectroscopy, Near-Edge X-ray Absorption Fine Structure, and Density Functional Theory Studies.
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and Alexandre Tkatchenko: Understanding Molecular Crystals with Dispersion-Inclusive Density Functional Theory: Pairwise Corrections and Beyond.
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Liu, Wei, Alexandre Tkatchenko and Matthias Scheffler: Modeling Adsorption and Reactions of Organic Molecules at Metal Surfaces.
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, , , Alexandre Tkatchenko and : Interactive displacement reactions in the surface oxidation chemistry of metallic gold.
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, , , Alexandre Tkatchenko and : Size Effects in the Interface Level Alignment of Dye-Sensitized TiO2 Clusters.
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Reilly, Anthony and Alexandre Tkatchenko: Role of Dispersion Interactions in the Polymorphism and Entropic Stabilization of the Aspirin Crystal.
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, , Wei Liu, Alexandre Tkatchenko, and : van der Waals Interactions Determine Selectivity in Catalysis by Metallic Gold.
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Santra, Biswajit, , Alexandre Tkatchenko, , , , and Matthias Scheffler: Accuracy of van der Waals inclusive DFT functionals for ice at ambient and high pressures.
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, , and Alexandre Tkatchenko: High-Throughput Investigation of the Geometry and Electronic Structures of Gas-Phase and Crystalline Polycyclic Aromatic Hydrocarbons.
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, Wei Liu, Alexandre Tkatchenko, , , , and : Publisher’s Note: Adsorption Geometry Determination of Single Molecules by Atomic Force Microscopy [Phys. Rev. Lett. 111, 106103 (2013)].
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, , Victor G. Ruiz, , , , Alexandre Tkatchenko, and : Non-additivity of molecule-surface van der Waals potentials from force measurements.
2013
Journal Article
, Alexandre Tkatchenko and : Pair-Wise and Many-Body Dispersive Interactions Coupled to an Optimally Tuned Range-Separated Hybrid Functional.
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, Nicola Ferri, Alexandre Tkatchenko, , , , , , and : Exploring the bonding of large hydrocarbons on noble metals: Diindoperylene on Cu(111), Ag(111), and Au(111).
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, , , , Alexandre Tkatchenko and : Noncovalent Interactions of DNA Bases with Naphthalene and Graphene.
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, Victor G. Ruiz, , , Alexandre Tkatchenko and : Understanding Structure and Bonding of Multilayered Metal–Organic Nanostructures.
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Gao, Wang and Alexandre Tkatchenko: Electronic Structure and van der Waals Interactions in the Stability and Mobility of Point Defects in Semiconductors.
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Gobre, Vivekanand and Alexandre Tkatchenko: Scaling Laws for van der Waals Interactions in Nanostructured Materials.