Publications of Alexandre Tkatchenko
All genres
Journal Article (101)
2014
Journal Article
, W. Liu, and A. Tkatchenko: Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces. The Journal of Chemical Physics 140 (8), 084704 (2014).
Journal Article
, V. Gobre and A. Tkatchenko: Many-body van der Waals interactions in molecules and condensed matter. Journal of Physics: Condensed Matter 26 (21), 213202 (2014).
Journal Article
, A. Tkatchenko, M. Scheffler and : Accurate and efficient treatment of many-body van der Waals interactions: Theory and applications. Abstracts of Papers of the American Chemical Society 248, Phys 55 (2014).
Journal Article
K.-H. Dostert, C. O'Brien, , A.A. Savara, W. Liu, , A. Tkatchenko and S. 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. The Journal of Physical Chemistry C 118 (48), 27833–27842 (2014).
Journal Article
and A. Tkatchenko: Understanding Molecular Crystals with Dispersion-Inclusive Density Functional Theory: Pairwise Corrections and Beyond. Accounts of Chemical Research 47 (11), 3208–3216 (2014).
Journal Article
W. Liu, A. Tkatchenko and M. Scheffler: Modeling Adsorption and Reactions of Organic Molecules at Metal Surfaces. Accounts of Chemical Research 47 (11), 3369–3377 (2014).
Journal Article
, , , A. Tkatchenko and : Interactive displacement reactions in the surface oxidation chemistry of metallic gold. Abstracts of Papers of the American Chemical Society 248, Coll 434 (2014).
Journal Article
, , , A. Tkatchenko and : Size Effects in the Interface Level Alignment of Dye-Sensitized TiO2 Clusters. The Journal of Physical Chemistry Letters 5 (12), 2395–2401 (2014).
Journal Article
A. Reilly and A. Tkatchenko: Role of Dispersion Interactions in the Polymorphism and Entropic Stabilization of the Aspirin Crystal. Physical Review Letters 113 (5), 055701 (2014).
Journal Article
, , W. Liu, A. Tkatchenko, and : van der Waals Interactions Determine Selectivity in Catalysis by Metallic Gold. Journal of the American Chemical Society 136 (38), 13333–13340 (2014).
Journal Article
B. Santra, , A. Tkatchenko, , , , and M. Scheffler: Accuracy of van der Waals inclusive DFT functionals for ice at ambient and high pressures. Abstracts of Papers of the American Chemical Society 248, Comp 199 (2014).
Journal Article
, , and A. Tkatchenko: High-Throughput Investigation of the Geometry and Electronic Structures of Gas-Phase and Crystalline Polycyclic Aromatic Hydrocarbons. The Journal of Physical Chemistry C 118 (34), 19964–19974 (2014).
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, W. Liu, A. Tkatchenko, , , , and : Publisher’s Note: Adsorption Geometry Determination of Single Molecules by Atomic Force Microscopy [Phys. Rev. Lett. 111, 106103 (2013)]. Physical Review Letters 112 (12), 129902 (2014).
Journal Article
, , V.G. Ruiz, , , , A. Tkatchenko, and : Non-additivity of molecule-surface van der Waals potentials from force measurements. Nature Communications 5 (11), 5568 (2014).
2013
Journal Article
, A. Tkatchenko and : Pair-Wise and Many-Body Dispersive Interactions Coupled to an Optimally Tuned Range-Separated Hybrid Functional. Journal of Chemical Theory and Computation 9 (8), 3473–3478 (2013).
Journal Article
, N. Ferri, A. Tkatchenko, , , , , , and : Exploring the bonding of large hydrocarbons on noble metals: Diindoperylene on Cu(111), Ag(111), and Au(111). Physical Review B 87 (16), 165443 (2013).
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, , , , A. Tkatchenko and : Noncovalent Interactions of DNA Bases with Naphthalene and Graphene. Journal of Chemical Theory and Computation 9 (4), 2090–2096 (2013).
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, V.G. Ruiz, , , A. Tkatchenko and : Understanding Structure and Bonding of Multilayered Metal–Organic Nanostructures. The Journal of Physical Chemistry C 117 (6), 3055–3061 (2013).
Journal Article
W. Gao and A. Tkatchenko: Electronic Structure and van der Waals Interactions in the Stability and Mobility of Point Defects in Semiconductors. Physical Review Letters 111 (4), 045501 (2013).
Journal Article
V. Gobre and A. Tkatchenko: Scaling Laws for van der Waals Interactions in Nanostructured Materials. Nature Communications 4, 2341 (2013).