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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 128 (19), 5817-5820, 2016
1572016
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
762016
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), 024105, 2014
532014
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
302019
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
302017
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
282015
Line defects in graphene: How doping affects the electronic and mechanical properties
D Berger, C Ratsch
Physical Review B 93 (23), 235441, 2016
242016
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
162019
Catalytic flow with a coupled finite difference—Lattice Boltzmann scheme
N Kulyk, D Berger, AS Smith, J Harting
Computer Physics Communications 256, 107443, 2020
62020
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 (6), 1-10, 2012
52012
Structural Characterization of an Ionic Liquid in bulk and in nano-confined environment from MD simulations
N Vucemilovic-Alagic, RD Banhatti, R Stepic, CR Wick, D Berger, ...
arXiv preprint arXiv:1905.06009, 2019
22019
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
22017
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
12020
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
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
Line defects in Graphene: How doping cures the electronic and mechanical properties
D Berger, C Ratsch
APS March Meeting Abstracts 2016, B17. 002, 2016
2016
Theoretical evidence for unexpected O-rich phases at corners of MgO surfaces
D Berger, SV Levchenko, S Bhattacharya, K Reuter, LM Ghiringhelli, ...
APS March Meeting Abstracts 2015, Z26. 014, 2015
2015
Regesta pontificvm Romanorvm: sive repertorivm privilegiorvm et litterarvm a Romanis pontificibvs ante annvm MCLXXXXVIII Hispaniae et Portvgalliae ecclesiis monasteriis …
D Berger
Regesta pontificvm Romanorvm, 2015
2015
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