Journal Article (8218)
1801.
Journal Article
5 (2), 30 (2017)
Levy-Lieb-Based Monte Carlo Study of the Dimensionality Behaviour of the Electronic Kinetic Functional. Computation 1802.
Journal Article
215, pp. 26 - 46 (2017)
Lattice dynamics calculations based on density-functional perturbation theory in real space. Computer Physics Communications 1803.
Journal Article
8 (7), pp. 4926 - 4940 (2017)
Powder diffraction and crystal structure prediction identify four new coumarin polymorphs. Chemical Science 1804.
Journal Article
19 (30), pp. 19673 - 19682 (2017)
Role of electronic correlations in photoionization of NO2 in the vicinity of the 2A1/2B2 conical intersection. Physical Chemistry Chemical Physics 1805.
Journal Article
13 (11), pp. 5582 - 5603 (2017)
Efficient Implicit Solvation Method for Full Potential DFT. Journal of Chemical Theory and Computation 1806.
Journal Article
19 (6), pp. 4231 - 4242 (2017)
Initial stages of CO2 adsorption on CaO: a combined experimental and computational study. Physical Chemistry Chemical Physics 1807.
Journal Article
121, pp. 18625 - 18634 (2017)
Oxygen Scrambling of CO2 Adsorbed on CaO(001). The Journal of Physical Chemistry C 1808.
Journal Article
19 (17), pp. 23154 - 23161 (2017)
Excess charge driven dissociative hydrogen adsorption on Ti2O4−. Physical Chemistry Chemical Physics 1809.
Journal Article
18 (8), pp. 868 - 872 (2017)
Gas-Phase Vibrational Spectroscopy of the Aluminum Oxide Anions (Al2O3)1-6AlO2-. ChemPhysChem 1810.
Journal Article
18 (8), p. 866 - 866 (2017)
Inside Cover: Gas-Phase Vibrational Spectroscopy of the Aluminum Oxide Anions (Al2O3)1-6AlO2-. ChemPhysChem 1811.
Journal Article
485-486, pp. 149 - 165 (2017)
Global and local aspects of the surface potential landscape for energy level alignment at organic-ZnO interfaces. Chemical Physics 1812.
Journal Article
96 (17), 174408 (2017)
Interplay of Fe and Tm moments through the spin-reorientation transition in TmFe O3. Physical Review B 1813.
Journal Article
29 (10), pp. 4330 - 4340 (2017)
Li+ Defects in a Solid-State Li Ion Battery: Theoretical Insights with a Li3OCl Electrolyte. Chemistry of Materials 1814.
Journal Article
56 (4), pp. 936 - 964 (2017)
Carbocatalysis in Liquid-Phase Reactions. Angewandte Chemie International Edition 1815.
Journal Article
129 (4), pp. 956 - 985 (2017)
Carbokatalyse in Flüssigphasenreaktionen. Angewandte Chemie 1816.
Journal Article
205, pp. 1 - 10 (2017)
Self-assembled carbon nitride for photocatalytic hydrogen evolution and degradation of p-nitrophenol. Applied Catalysis B 1817.
Journal Article
19 (16), pp. 4199 - 4202 (2017)
About Underappreciated Yet Active Conformations of Thiourea Organocatalysts. Organic Letters 1818.
Journal Article
29 (7), pp. 2777 - 2787 (2017)
Singlet Fission in Rubrene Derivatives: Impact of Molecular Packing. Chemistry of Materials 1819.
Journal Article
41 (15), pp. 7356 - 7363 (2017)
Synthesis of cobalt ferrite nanoparticles by constant pH co-precipitation and their high catalytic activity in CO oxidation. New Journal of Chemistry 1820.
Journal Article
24 (5), pp. 963 - 974 (2017)
The EIGER detector for low-energy electron microscopy and photoemission electron microscopy. Journal of Synchrotron Radiation