Items where Author is "Wick, Christian R."

Article

Wick, Christian R.; Topraksal, Ece; Smith, David M.; Smith, Ana-Sunčana (2022) Evaluating the predictive character of the method of constrained geometries simulate external force with density functional theory. Forces in Mechanics, 9 . ISSN 2666-3597

Wolf, Patrick; Wick, Christian R.; Mehler, Julian; Blaumeiser, Dominik; Schötz, Simon; Bauer, Tanja; Libuda, Jörg; Smith, David M.; Smith, Ana-Sunčana; Haumann, Marco (2022) Improving the Performance of Supported Ionic Liquid Phase Catalysts for the Ultra-Low-Temperature Water Gas Shift Reaction Using Organic Salt Additives. ACS Catalysis, 12 (9). pp. 5661-5672. ISSN 2155-5435

Livraghi, Mattia; Höllring, Kevin; Wick, Christian R.; Smith, David M.; Smith, Ana-Sunčana (2021) An Exact Algorithm to Detect the Percolation Transition in Molecular Dynamics Simulations of Cross-Linking Polymer Networks. Journal of chemical theory and computation, 17 (10). pp. 6449-6457. ISSN 1549-9618

Vučemilović-Alagić, Nataša; Banhatti, Radha D.; Stepić, Robert; Wick, Christian R.; Berger, Mario Gaimann; Bear, Andreas; Harting, Jens; Smith, David Matthew; Smith, Ana-Sunčana (2020) Structural Characterization of an Ionic Liquid in bulk and in nano-confined environment using data from MD simulations. Data in Brief, 28 . ISSN 2352-3409

Wolf, Patrick; Aubermann, Manfred; Wolf, Moritz; Bauer, Tanja; Blaumeiser, Dominik; Stepic, Robert; Wick, Christian R.; Smith, David M.; Smith, Ana-Sunčana; Wasserscheid, Peter; Libuda, Joerg; Haumann, Marco (2019) Improving the performance of supported ionic liquid phase (SILP) catalysts for the ultra-low-temperature water-gas shift reaction using metal salt additives. Green chemistry, 21 (18). pp. 5008-5018. ISSN 1463-9262

Vučemilović-Alagić, Nataša; Banhatti, Radha D.; Stepić, Robert; Wick, Christian R.; Berger, Daniel; Gaimann, Mario U.; Baer, Andreas; Harting, Jens; Smith, David M.; Smith, Ana-Sunčana (2019) Insights from molecular dynamics simulations on structural organization and diffusive dynamics of an ionic liquid at solid and vacuum interfaces. Journal of Colloid and Interface Science, 553 . pp. 350-363. ISSN 0021-9797

Stepić, Robert; Wick, Christian R.; Strobel, Vinzent; Berger, Daniel; Vučemilović-Alagić, Nataša; Haumann, Marco; Wasserscheid, Peter; Smith, Ana Sunčana; Smith, David M. (2019) Mechanism of the Water–Gas Shift Reaction Catalyzed by Efficient Ruthenium-Based Catalysts: A Computational and Experimental Study. Angewandte Chemie International Edition, 58 (3). pp. 741-745. ISSN 1433-7851