Zeitschriftenartikel (8218)
1981.
Zeitschriftenartikel
649, S. 90 - 100 (2016)
LEED I/V determination of the structure of a MoO3 monolayer on Au(111): Testing the performance of the CMA-ES evolutionary strategy algorithm, differential evolution, a genetic algorithm and tensor LEED based structural optimization. Surface Science 1982.
Zeitschriftenartikel
7, 13761 (2016)
Energy dissipation from a correlated system driven out of equilibrium. Nature Communications 1983.
Zeitschriftenartikel
72 (4), S. 439 - 459 (2016)
Report on the sixth blind test of organic crystal structure prediction methods. Acta Crystallographica Section B 1984.
Zeitschriftenartikel
7, 10459 (2016)
Persistent order due to transiently enhanced nesting in an electronically excited charge density wave. Nature Communications 1985.
Zeitschriftenartikel
116 (25), 257202 (2016)
Itinerant and Localized Magnetization Dynamics in Antiferromagnetic Ho. Physical Review Letters 1986.
Zeitschriftenartikel
146 (3), S. 541 - 563 (2016)
Ab Initio Thermodynamics and First-Principles Microkinetics for Surface Catalysis. Catalysis Letters 1987.
Zeitschriftenartikel
12 (8), S. 4052 - 4066 (2016)
Function-Space-Based Solution Scheme for the Size-Modified Poisson–Boltzmann Equation in Full-Potential DFT. Journal of Chemical Theory and Computation 1988.
Zeitschriftenartikel
117 (19), 196001 (2016)
Energy Dissipation during Diffusion at Metal Surfaces: Disentangling the Role of Phonons versus Electron-Hole Pairs. Physical Review Letters 1989.
Zeitschriftenartikel
6, 35772 (2016)
Trends for isolated amino acids and dipeptides: Conformation, divalent ion binding, and remarkable similarity of binding to calcium and lead. Scientific Reports 1990.
Zeitschriftenartikel
3, 160009 (2016)
First-principles data set of 45,892 isolated and cation-coordinated conformers of 20 proteinogenic amino acids. Scientific Data 1991.
Zeitschriftenartikel
93 (3), 035118 (2016)
Density-functional theory with screened van der Waals interactions applied to atomic and molecular adsorbates on close-packed and non-close-packed surfaces. Physical Review B 1992.
Zeitschriftenartikel
18 (4), 043006 (2016)
Towards synthetic molecular motors: a model elastic-network study. New Journal of Physics 1993.
Zeitschriftenartikel
15 (7), S. 704 - 704 (2016)
Obituary: Walter Kohn (1923–2016). Nature Materials 1994.
Zeitschriftenartikel
15 (7), S. 58 - 58 (2016)
Zum Gedenken an Walter Kohn. Physik Journal 1995.
Zeitschriftenartikel
7 (11), S. 2080 - 2084 (2016)
Switching of an Azobenzene-Tripod Molecule on Ag(111). The Journal of Physical Chemistry Letters 1996.
Zeitschriftenartikel
59 (8-9), S. 772 - 786 (2016)
Sustainable Energy Systems: The Strategic Role of Chemical Energy Conversion. Topics in Catalysis 1997.
Zeitschriftenartikel
59 (17), S. 1461 - 1476 (2016)
Selective Oxidation: From a Still Immature Technology to the Roots of Catalysis Science. Topics in Catalysis 1998.
Zeitschriftenartikel
144 (5), 054103 (2016)
Critical analysis of fragment-orbital DFT schemes for the calculation of electronic coupling values. The Journal of Chemical Physics 1999.
Zeitschriftenartikel
516, S. 117 - 126 (2016)
Cu,Zn-based catalysts for methanol synthesis: On the effect of calcination conditions and the part of residual carbonates. Applied Catalysis A 2000.
Zeitschriftenartikel
120 (7), S. 3781 - 3790 (2016)
Evidence for Exchange Coupled Electrons and Holes in MgO after Oxidative Activation of CH4: A Multifrequency Transient Nutation EPR Study. The Journal of Physical Chemistry C