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Daniel Berger
Daniel Berger
Siemens AG
Verified email at ch.tum.de
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Year
Formation mechanism of the first carbon–carbon bond and the first olefin in the methanol conversion into hydrocarbons
Y Liu, S Müller, D Berger, J Jelic, K Reuter, M Tonigold, ...
Angewandte Chemie International Edition 55 (19), 5723-5726, 2016
2002016
Surface Adsorption Energetics Studied with “Gold Standard” Wave-Function-Based Ab Initio Methods: Small-Molecule Binding to TiO2(110)
A Kubas, D Berger, H Oberhofer, D Maganas, K Reuter, F Neese
The Journal of Physical Chemistry Letters 7 (20), 4207-4212, 2016
972016
Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework
D Berger, AJ Logsdail, H Oberhofer, MR Farrow, CRA Catlow, ...
The Journal of chemical physics 141 (2), 2014
572014
Mechanism of the Water–Gas Shift Reaction Catalyzed by Efficient Ruthenium‐Based Catalysts: A Computational and Experimental Study
R Stepić, CR Wick, V Strobel, D Berger, N Vučemilović‐Alagić, ...
Angewandte Chemie International Edition 58 (3), 741-745, 2019
332019
Insights from molecular dynamics simulations on structural organization and diffusive dynamics of an ionic liquid at solid and vacuum interfaces
N Vučemilović-Alagić, RD Banhatti, R Stepić, CR Wick, D Berger, ...
Journal of colloid and interface science 553, 350-363, 2019
322019
First-principles embedded-cluster calculations of the neutral and charged oxygen vacancy at the rutile TiO 2 (110) surface
D Berger, H Oberhofer, K Reuter
Physical Review B 92 (7), 075308, 2015
322015
Theoretical evidence for unexpected O-rich phases at corners of MgO surfaces
S Bhattacharya, D Berger, K Reuter, LM Ghiringhelli, SV Levchenko
Physical Review Materials 1 (7), 071601, 2017
312017
Line defects in graphene: How doping affects the electronic and mechanical properties
D Berger, C Ratsch
Physical Review B 93 (23), 235441, 2016
262016
Catalytic flow with a coupled finite difference—Lattice Boltzmann scheme
N Kulyk, D Berger, AS Smith, J Harting
Computer physics communications 256, 107443, 2020
142020
A study of color centers in MgO using a hierarchical model
D Berger, PM Dinh, PG Reinhard, E Suraud
The European Physical Journal D 66, 1-10, 2012
52012
Structural characterization of an ionic liquid in bulk and in nano-confined environment using data from MD simulations
N Vučemilović-Alagić, RD Banhatti, R Stepić, CR Wick, D Berger, ...
Data in brief 28, 104794, 2020
42020
Corrigendum: Formation Mechanism of the First Carbon–Carbon Bond and the First Olefin in the Methanol Conversion into Hydrocarbons
Y Liu, S Müller, D Berger, J Jelic, K Reuter, M Tonigold, ...
Angewandte Chemie International Edition 56 (26), 7342-7342, 2017
32017
Berichtigung: Formation Mechanism of the First Carbon–Carbon Bond and the First Olefin in the Methanol Conversion into Hydrocarbons
Y Liu, S Müller, D Berger, J Jelic, K Reuter, M Tonigold, ...
Angewandte Chemie 129 (26), 7448-7448, 2017
32017
Solid State QM/MM Embedding for a First-Principles Description of Catalytic Processes
D Berger
Technische Universität München, 2015
12015
Innentitelbild: Mechanism of the Water–Gas Shift Reaction Catalyzed by Efficient Ruthenium‐Based Catalysts: A Computational and Experimental Study (Angew. Chem. 3/2019)
R Stepić, CR Wick, V Strobel, D Berger, N Vučemilović‐Alagić, ...
Angewandte Chemie 131 (3), 650-650, 2019
2019
Inside Cover: Mechanism of the Water–Gas Shift Reaction Catalyzed by Efficient Ruthenium‐Based Catalysts: A Computational and Experimental Study (Angew. Chem. Int. Ed. 3/2019)
R Stepić, CR Wick, V Strobel, D Berger, N Vučemilović‐Alagić, ...
Angewandte Chemie International Edition 58 (3), 640-640, 2019
2019
Static and Dynamic Properties of [C2Mim][NTf2]-Ionic Liquid on Neutral Sapphire Surface
N Vučemilović-Alagić, D Berger, J Harting, C Wick, DM Smith, AS Smith
27th EuChemS Conference on Molten Salts and Ionic Liquids, 2018
2018
Water Gas-Shift Reaction Catalysis in Supported Ionic Liquid Phase
R Stepić, N Vučemilović-Alagić, D Berger, C Wick, T Bauer, M Haumann, ...
International Congress Engineering of Advanced Materials-ICEAM2017Session …, 2017
2017
Static and Dynamic Properties of Ionic Liquid on Neutral Sapphire Surface
N Vučemilović-Alagić, R Stepić, CR Wick, D Berger, MHP Wasserscheid, ...
WE-Heraeus-Seminar: Surfaces and Interfaces of Ionic Liquids, 2017
2017
Continuum embedding for photo-electrochemical surface processes
M Sinstein, H Oberhofer, D Berger, V Blum, K Reuter
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016
2016
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