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Wolf, Patrick ; Wick, Christian R. ; Mehler, Julian ; Blaumeiser, Dominik ; Schötz, Simon ; Bauer, Tanja ; Libuda, Jörg ; Smith, David ; Smith, Ana-Sunčana ; Haumann, Marco
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 (2022), 9; 5661-5672. doi: 10.1021/acscatal.1c05979 |
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Dalsvåg, Hanne ; Cropotova, Janna ; Režek Jambrak, Anet ; Janči, Tibor ; Španěl, Patrik ; Dryahina, Kseniya ; Smith, David ; Rustad, Turid
Mass Spectrometric Quantification of Volatile Compounds Released by Fresh Atlantic Salmon Stored at 4 °C under Modified Atmosphere Packaging and Vacuum Packaging for up to 16 Days ACS Food Science and Technology, 2 (2021), 3; 400-414. doi: 10.1021/acsfoodscitech.1c00259 |
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Livraghi, Mattia ; Höllring, Kevin ; Wick, Christian R. ; Smith, David M. ; Smith, Ana-Sunčana
An Exact Algorithm to Detect the Percolation Transition in Molecular Dynamics Simulations of Cross-Linking Polymer Networks // Journal of chemical theory and computation, 17 (2021), 10; 6449-6457. doi: 10.1021/acs.jctc.1c00423 |
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Bilić, Luka ; Barić, Danijela ; Sandala, Gregory M ; Smith, David M. ; Kovačević, Borislav
Glycerol as a Substrate and Inactivator of Coenzyme B12‐Dependent Diol Dehydratase // Chemistry : a European journal, 27 (2021), 29; 7930-7941. doi: 10.1002/chem.202100416 |
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Vučemilović-Alagić, Nataša ; Banhatti, Radha D. ; Stepić, Robert ; Wick, Christian R. ; Berger, Mario Gaimann, Daniel ; Bear, Andreas ; Harting, Jens ; Smith, David Matthew ; Smith, Ana-Sunčana
Structural Characterization of an Ionic Liquid in bulk and in nano-confined environment using data from MD simulations // Data in brief, 28 (2020), 104794, 11. doi: 10.1016/j.dib.2019.104794 |
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Blaumeiser, Dominik ; Stepić, Robert ; Wolf, Patrick ; Wick, Christian R. ; Haumann, Marco ; Wasserscheid, Peter ; Smith, David M. ; Smith, Ana-Sunčana ; Bauer, Tanja ; Libuda, Jörg
Cu carbonyls enhance the performance of Ru-based SILP water–gas shift catalysts: a combined in situ DRIFTS and DFT study // Catalysis science & technology, 10 (2020), 1; 252-262. doi: 10.1039/c9cy01852b |
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Stepić, Robert ; Jurković, Lara ; Klementyeva, Ksenia ; Ukrainczyk, Marko ; Gredičak, Matija ; Smith, David M. ; Kralj, Damir ; Smith, Ana- Sunčana
Adsorption of Aspartate Derivatives to Calcite Surfaces in Aqueous Environment // Crystal growth & design, 20 (2020), 5; 2853-2859. doi: 10.1021/acs.cgd.0c00061 |
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Bilić, Luka ; Barić, Danijela ; Banhatti, Radha Dilip ; Smith, David Matthew ; Kovačević, Borislav
Computational study of glycerol binding within the active site of coenzyme B12-dependent diol dehydratase // Computational Chemistry Day 2019
Zagreb, Hrvatska, 11.05.2019-11.05.2019 |
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Wolf, Patrick ; Aubermann, Manfred ; Wolf, Moritz ; Bauer, Tanja ; Blaumeiser, Dominik ; Stepic, Robert ; Wick, Christian R. ; Smith, David M. ; Smith, Ana-Suncana ; Wasserscheid, Peter et al.
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 (2019), 18; 5008-5018. doi: 10.1039/c9gc02153a |
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Bilić, Luka ; Barić, Danijela ; Banhatti, Radha Dilip ; Smith, David M. ; Kovačević, Borislav
Computational Study of Glycerol Binding within the Active Site of Coenzyme B12-Dependent Diol Dehydratase // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 123 (2019), 29; 6178-6187. doi: 10.1021/acs.jpcb.9b04071 |
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