| Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields D Bedrov, JP Piquemal, O Borodin, AD MacKerell Jr, B Roux, ... Chemical reviews 119 (13), 7940-7995, 2019 | 543 | 2019 |
| Comparing reduced partial charge models with polarizable simulations of ionic liquids C Schröder Physical Chemistry Chemical Physics 14 (9), 3089-3102, 2012 | 300 | 2012 |
| Proteins in ionic liquids: current status of experiments and simulations C Schröder Ionic liquids II, 127-152, 2018 | 198 | 2018 |
| Surface-active ionic liquids: A review CS Buettner, A Cognigni, C Schröder, K Bica-Schröder Journal of Molecular Liquids 347, 118160, 2022 | 162 | 2022 |
| On the computation and contribution of conductivity in molecular ionic liquids C Schröder, M Haberler, O Steinhauser The Journal of chemical physics 128 (13), 2008 | 143 | 2008 |
| On the collective network of ionic liquid/water mixtures. I. Orientational structure C Schröder, T Rudas, G Neumayr, S Benkner, O Steinhauser The Journal of chemical physics 127 (23), 2007 | 136 | 2007 |
| Simulating polarizable molecular ionic liquids with Drude oscillators C Schröder, O Steinhauser The Journal of chemical physics 133 (15), 2010 | 133 | 2010 |
| Simulation studies of ionic liquids: Orientational correlations and static dielectric properties C Schröder, T Rudas, O Steinhauser The Journal of chemical physics 125 (24), 2006 | 115 | 2006 |
| Collective rotational dynamics in ionic liquids: A computational and experimental study of 1-butyl-3-methyl-imidazolium tetrafluoroborate C Schröder, C Wakai, H Weingärtner, O Steinhauser The Journal of chemical physics 126 (8), 2007 | 114 | 2007 |
| On the collective network of ionic liquid/water mixtures. II. Decomposition and interpretation of dielectric spectra C Schröder, J Hunger, A Stoppa, R Buchner, O Steinhauser The Journal of Chemical Physics 129 (18), 184501, 2008 | 110 | 2008 |
| Simulation studies of the protein-water interface. I. Properties at the molecular resolution C Schröder, T Rudas, S Boresch, O Steinhauser The Journal of chemical physics 124 (23), 2006 | 94 | 2006 |
| Micellar catalysis in aqueous–ionic liquid systems K Bica, P Gärtner, PJ Gritsch, AK Ressmann, C Schröder, R Zirbs Chemical Communications 48 (41), 5013-5015, 2012 | 89 | 2012 |
| Polarisabilities of alkylimidazolium ionic liquids K Bica, M Deetlefs, C Schröder, KR Seddon Physical Chemistry Chemical Physics 15 (8), 2703-2711, 2013 | 87 | 2013 |
| Computational studies of ionic liquids: Size does matter and time too S Gabl, C Schröder, O Steinhauser The Journal of Chemical Physics 137 (9), 2012 | 85 | 2012 |
| Surface-active ionic liquids in micellar catalysis: impact of anion selection on reaction rates in nucleophilic substitutions A Cognigni, P Gaertner, R Zirbs, H Peterlik, K Prochazka, C Schröder, ... Physical Chemistry Chemical Physics 18 (19), 13375-13384, 2016 | 81 | 2016 |
| Quantum mechanical determination of atomic polarizabilities of ionic liquids E Heid, A Szabadi, C Schröder Physical Chemistry Chemical Physics 20 (16), 10992-10996, 2018 | 74 | 2018 |
| On the dielectric conductivity of molecular ionic liquids C Schröder, O Steinhauser The Journal of chemical physics 131 (11), 2009 | 70 | 2009 |
| Collective translational motions and cage relaxations in molecular ionic liquids C Schröder The Journal of chemical physics 135 (2), 2011 | 69 | 2011 |
| Alchemical free energy calculations and multiple conformational substates M Leitgeb, C Schröder, S Boresch The Journal of chemical physics 122 (8), 2005 | 67 | 2005 |
| Impact of anisotropy on the structure and dynamics of ionic liquids: A computational study of 1-butyl-3-methyl-imidazolium trifluoroacetate C Schröder, T Rudas, G Neumayr, W Gansterer, O Steinhauser The Journal of chemical physics 127 (4), 2007 | 66 | 2007 |
Marcello SegaAssociate Professor, University College London, Dept. of Chemical EngineeringBestätigte E-Mail-Adresse bei ucl.ac.uk
