Publikationen von Alexandre Tkatchenko
Alle Typen
Zeitschriftenartikel (101)
41.
Zeitschriftenartikel
47 (11), S. 3208 - 3216 (2014)
Understanding Molecular Crystals with Dispersion-Inclusive Density Functional Theory: Pairwise Corrections and Beyond. Accounts of Chemical Research 42.
Zeitschriftenartikel
47 (11), S. 3369 - 3377 (2014)
Modeling Adsorption and Reactions of Organic Molecules at Metal Surfaces. Accounts of Chemical Research 43.
Zeitschriftenartikel
136 (38), S. 13333 - 13340 (2014)
van der Waals Interactions Determine Selectivity in Catalysis by Metallic Gold. Journal of the American Chemical Society 44.
Zeitschriftenartikel
118 (34), S. 19964 - 19974 (2014)
High-Throughput Investigation of the Geometry and Electronic Structures of Gas-Phase and Crystalline Polycyclic Aromatic Hydrocarbons. The Journal of Physical Chemistry C 45.
Zeitschriftenartikel
113 (5), 055701 (2014)
Role of Dispersion Interactions in the Polymorphism and Entropic Stabilization of the Aspirin Crystal. Physical Review Letters 46.
Zeitschriftenartikel
5 (12), S. 2395 - 2401 (2014)
Size Effects in the Interface Level Alignment of Dye-Sensitized TiO2 Clusters. The Journal of Physical Chemistry Letters 47.
Zeitschriftenartikel
26 (21), 213202 (2014)
Many-body van der Waals interactions in molecules and condensed matter. Journal of Physics: Condensed Matter 48.
Zeitschriftenartikel
140 (18), 18A508 (2014)
Long-range correlation energy calculated from coupled atomic response functions. The Journal of Chemical Physics 49.
Zeitschriftenartikel
112 (12), 129902 (2014)
Publisher’s Note: Adsorption Geometry Determination of Single Molecules by Atomic Force Microscopy [Phys. Rev. Lett. 111, 106103 (2013)]. Physical Review Letters 50.
Zeitschriftenartikel
5 (5), S. 849 - 855 (2014)
Hard Numbers for Large Molecules: Toward Exact Energetics for Supramolecular Systems. The Journal of Physical Chemistry Letters 51.
Zeitschriftenartikel
140 (8), 084704 (2014)
Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces. The Journal of Chemical Physics 52.
Zeitschriftenartikel
248, Phys 55 (2014)
Accurate and efficient treatment of many-body van der Waals interactions: Theory and applications. Abstracts of Papers of the American Chemical Society 53.
Zeitschriftenartikel
248, Coll 434 (2014)
Interactive displacement reactions in the surface oxidation chemistry of metallic gold. Abstracts of Papers of the American Chemical Society 54.
Zeitschriftenartikel
248, Comp 199 (2014)
Accuracy of van der Waals inclusive DFT functionals for ice at ambient and high pressures. Abstracts of Papers of the American Chemical Society 55.
Zeitschriftenartikel
4, 2569 (2013)
Molecular switches from benzene derivatives adsorbed on metal surfaces. Nature Communications 56.
Zeitschriftenartikel
139 (15), 154702 (2013)
On the Accuracy of van der Waals Inclusive Density-Functional Theory Exchange-Correlation Functionals for Ice at Ambient and High Pressures. The Journal of Chemical Physics 57.
Zeitschriftenartikel
111 (10), 106103 (2013)
Adsorption geometry determination of single molecules by atomic force microscopy. Physical Review Letters 58.
Zeitschriftenartikel
15 (9), 095003 (2013)
Machine Learning of Molecular Electronic Properties in Chemical Compound Space. New Journal of Physics 59.
Zeitschriftenartikel
117 (34), S. 8323 - 8331 (2013)
Understanding the Structure and Electronic Properties of Molecular Crystals under Pressure: Application of Dispersion Corrected DFT to Oligoacenes. The Journal of Physical Chemistry A 60.
Zeitschriftenartikel
4, 2341 (2013)
Scaling Laws for van der Waals Interactions in Nanostructured Materials. Nature Communications