Dr. rer. nat. Christian R. Wick, MSc
Dr. rer. nat. Christian R. Wick, MSc
Friedrich-Alexander-Universität Erlangen-Nürnberg, PULS Group and Competence Unit for Scientific
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Zitiert von
Zitiert von
On bond-critical points in QTAIM and weak interactions
CR Wick, T Clark
Journal of molecular modeling 24, 1-9, 2018
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
Dynamic equilibria in supported ionic liquid phase (SILP) catalysis: in situ IR spectroscopy identifies [Ru (CO) x Cl y] n species in water gas shift catalysis
T Bauer, R Stepic, P Wolf, F Kollhoff, W Karawacka, CR Wick, M Haumann, ...
Catalysis Science & Technology 8 (1), 344-357, 2018
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
Multiply Bonded Metal(II) Acetate (Rhodium, Ruthenium, and Molybdenum) Complexes with the trans-1,2-Bis(N-methylimidazol-2-yl)ethylene Ligand
N Fritsch, CR Wick, T Waidmann, PO Dral, J Tucher, FW Heinemann, ...
Inorganic chemistry 53 (23), 12305-12314, 2014
Improving the performance of supported ionic liquid phase (SILP) catalysts for the ultra-low-temperature water–gas shift reaction using metal salt additives
P Wolf, M Aubermann, M Wolf, T Bauer, D Blaumeiser, R Stepic, CR Wick, ...
Green Chemistry 21 (18), 5008-5018, 2019
Self-consistent field convergence for proteins: a comparison of full and localized-molecular-orbital schemes
CR Wick, M Hennemann, JJP Stewart, T Clark
Journal of molecular modeling 20, 1-6, 2014
Predicting the sites and energies of noncovalent intermolecular interactions using local properties
A El Kerdawy, CR Wick, M Hennemann, T Clark
Journal of chemical information and modeling 52 (4), 1061-1071, 2012
Modeling the Reactions Catalyzed by Coenzyme B12 Dependent Enzymes: Accuracy and Cost-Quality Balance
CR Wick, DM Smith
The Journal of Physical Chemistry A 122 (6), 1747-1755, 2018
Cu carbonyls enhance the performance of Ru-based SILP water–gas shift catalysts: a combined in situ DRIFTS and DFT study
D Blaumeiser, R Stepić, P Wolf, CR Wick, M Haumann, P Wasserscheid, ...
Catalysis Science & Technology 10 (1), 252-262, 2020
An Exact Algorithm to Detect the Percolation Transition in Molecular Dynamics Simulations of Cross-Linking Polymer Networks
M Livraghi, K Höllring, CR Wick, DM Smith, AS Smith
Journal of Chemical Theory and Computation 17 (10), 6449-6457, 2021
Bis-polyethylene glycol-functionalized imidazolium ionic liquids: A multi-method approach towards bulk and surface properties
V Seidl, M Bosch, U Paap, M Livraghi, Z Zhai, CR Wick, TM Koller, ...
Journal of Ionic Liquids 2 (2), 100041, 2022
Structural insight into the Prolyl Hydroxylase PHD2: a molecular dynamics and DFT study
CR Wick, H Lanig, CM Jäger, N Burzlaff, T Clark
European Journal of Inorganic Chemistry 2012 (31), 4973-4985, 2012
Improving the Performance of Supported Ionic Liquid Phase Catalysts for the Ultra-Low-Temperature Water Gas Shift Reaction Using Organic Salt Additives
P Wolf, CR Wick, J Mehler, D Blaumeiser, S Schötz, T Bauer, J Libuda, ...
ACS catalysis 12 (9), 5661-5672, 2022
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
1D Chains of Diruthenium Tetracarbonyl Sawhorse Complexes
N Fritsch, CR Wick, T Waidmann, S Pflock, PO Dral, J Tucher, C Steiner, ...
European Journal of Inorganic Chemistry 2018 (1), 54-61, 2018
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
A Fluorescent Benzo[g]isoquinoline‐Based HIF Prolyl Hydroxylase Inhibitor for Cellular Imaging
M Mayer, K Fey, E Heinze, CR Wick, MI Abboud, TL Yeh, A Tumber, ...
ChemMedChem 14 (1), 94-99, 2019
Evaluating the predictive character of the method of constrained geometries simulate external force with density functional theory
CR Wick, E Topraksal, DM Smith, AS Smith
Forces in Mechanics 9, 100143, 2022
On equilibrating non-periodic molecular dynamics samples for coupled particle-continuum simulations of amorphous polymers
F Weber, M Ries, C Bauer, CR Wick, S Pfaller
Forces in Mechanics 10, 100159, 2023
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