Frank Uhlig
Frank Uhlig
Institute for Computational Physics, University of Stuttgart
Подтвержден адрес электронной почты в домене icp.uni-stuttgart.de
Название
Процитировано
Процитировано
Год
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
1662008
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
972012
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
832010
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
782015
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, 2011
782011
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
562014
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
522012
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
482013
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
432014
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
392010
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
332015
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
292016
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
222011
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
222008
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
172017
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
162011
Disentangling Structural Information From Core-level Excitation Spectra
J Niskanen, CJ Sahle, K Gilmore, F Uhlig, J Smiatek, A Föhlisch
arXiv preprint arXiv:1702.04585, 2017
142017
Assessment of Real-Time Time-Dependent Density Functional Theory (RT-TDDFT) in Radiation Chemistry: Ionized Water Dimer
J Chalabala, F Uhlig, P Slavicek
The Journal of Physical Chemistry A 122 (12), 3227-3237, 2018
112018
First-principles parameterization of polarizable coarse-grained force fields for ionic liquids
F Uhlig, J Zeman, J Smiatek, C Holm
Journal of Chemical Theory and Computation, 2018
102018
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
92017
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