Intermolecular forces in an ionic liquid ([Mmim][Cl]) versus those in a typical salt (NaCl) S Zahn, F Uhlig, J Thar, C Spickermann, B Kirchner Angewandte Chemie International Edition 47 (19), 3639-3641, 2008 | 204 | 2008 |
Unraveling the complex nature of the hydrated electron F Uhlig, O Marsalek, P Jungwirth The Journal of Physical Chemistry Letters 3 (20), 3071-3075, 2012 | 145 | 2012 |
Coulomb explosion during the early stages of the reaction of alkali metals with water PE Mason, F Uhlig, V Vaněk, T Buttersack, S Bauerecker, P Jungwirth Nature chemistry 7 (3), 250-254, 2015 | 122 | 2015 |
Structure, dynamics, and reactivity of hydrated electrons by ab initio molecular dynamics O Marsalek, F Uhlig, J Vandevondele, P Jungwirth Accounts of chemical research 45 (1), 23-32, 2012 | 117 | 2012 |
Direct observation of the collapse of the delocalized excess electron in water J Savolainen, F Uhlig, S Ahmed, P Hamm, P Jungwirth Nature chemistry 6 (8), 697-701, 2014 | 99 | 2014 |
Dynamics of electron localization in warm versus cold water clusters O Marsalek, F Uhlig, T Frigato, B Schmidt, P Jungwirth Physical review letters 105 (4), 043002, 2010 | 94 | 2010 |
Like-Charge Ion Pairing in Water: An Ab Initio Molecular Dynamics Study of Aqueous Guanidinium Cations M Vazdar, F Uhlig, P Jungwirth The Journal of Physical Chemistry Letters 3 (15), 2021-2024, 2012 | 73 | 2012 |
Optical Spectroscopy of the Bulk and Interfacial Hydrated Electron from Ab Initio Calculations F Uhlig, JM Herbert, MP Coons, P Jungwirth The Journal of Physical Chemistry A 118 (35), 7507-7515, 2014 | 70 | 2014 |
Electron at the Surface of Water: Dehydrated or Not? F Uhlig, O Marsalek, P Jungwirth The Journal of Physical Chemistry Letters 4 (2), 338-343, 2013 | 64 | 2013 |
Combined influence of ectoine and salt: spectroscopic and numerical evidence for compensating effects on aqueous solutions MB Hahn, F Uhlig, T Solomun, J Smiatek, H Sturm Physical Chemistry Chemical Physics 18 (41), 28398-28402, 2016 | 56 | 2016 |
Influence of the Compatible Solute Ectoine on the Local Water Structure: Implications for the Binding of the Protein G5P to DNA MB Hahn, T Solomun, R Wellhausen, S Hermann, H Seitz, S Meyer, ... The Journal of Physical Chemistry B 119 (49), 15212-15220, 2015 | 56 | 2015 |
What can clusters tell us about the bulk?: Peacemaker: Extended quantum cluster equilibrium calculations B Kirchner, C Spickermann, SBC Lehmann, E Perlt, J Langner, ... Computer Physics Communications 182 (7), 1428-1446, 2011 | 48 | 2011 |
Electrons in Cold Water Clusters: An ab Initio Molecular Dynamics Study of Localization and Metastable States† O Marsalek, F Uhlig, P Jungwirth The Journal of Physical Chemistry C 114 (48), 20489-20495, 2010 | 43 | 2010 |
Disentangling structural information from core-level excitation spectra J Niskanen, CJ Sahle, K Gilmore, F Uhlig, J Smiatek, A Föhlisch Physical Review E 96 (1), 013319, 2017 | 31 | 2017 |
Assessment of Real-Time Time-Dependent Density Functional Theory (RT-TDDFT) in Radiation Chemistry: Ionized Water Dimer J Chalabala, F Uhlig, P Slavíček The Journal of Physical Chemistry A 122 (12), 3227-3237, 2018 | 28 | 2018 |
First-principles parametrization of polarizable coarse-grained force fields for ionic liquids F Uhlig, J Zeman, J Smiatek, C Holm Journal of chemical theory and computation 14 (3), 1471-1486, 2018 | 28 | 2018 |
Zwischenmolekulare Kräfte einer ionischen Flüssigkeit ([Mmim][Cl]) im Vergleich mit denen eines typischen Salzes (NaCl) S Zahn, F Uhlig, J Thar, C Spickermann, B Kirchner Angewandte Chemie 120 (19), 3695-3697, 2008 | 24 | 2008 |
A coarse-grained polarizable force field for the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate J Zeman, F Uhlig, J Smiatek, C Holm Journal of Physics: Condensed Matter 29 (50), 504004, 2017 | 23 | 2017 |
From a localized H 3 O radical to a delocalized H 3 O+ e− solvent-separated pair by sequential hydration F Uhlig, O Marsalek, P Jungwirth Physical Chemistry Chemical Physics 13 (31), 14003-14009, 2011 | 23 | 2011 |
Vibrational states of nano-confined water molecules in beryl investigated by first-principles calculations and optical experiments MA Belyanchikov, ES Zhukova, S Tretiak, A Zhugayevych, M Dressel, ... Physical Chemistry Chemical Physics 19 (45), 30740-30748, 2017 | 22 | 2017 |