Jens Thar

Leipzig University — Germany

Chemical Engineering · Physical Sciences

15h-index1.9kcitations17works0.02yr avg
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Research Topics

Ionic liquids properties and applications(11), Advanced Chemical Physics Studies(5), Spectroscopy and Quantum Chemical Studies(4), Electrochemical Analysis and Applications(4), Chemical and Physical Properties in Aqueous Solutions(3)

Publications17 total

Effect of Dispersion on the Structure and Dynamics of the Ionic Liquid 1‐Ethyl‐3‐methylimidazolium Thiocyanate
ChemPhysChem·2012· 85 cited
Performance of Quantum Chemically Derived Charges and Persistence of Ion Cages in Ionic Liquids. A Molecular Dynamics Simulations Study of 1-<i>n</i>-Butyl-3-methylimidazolium Bromide
The Journal of Physical Chemistry B·2010· 148 cited
Estimating the Hydrogen Bond Energy
The Journal of Physical Chemistry A·2010· 361 cited
Cover Picture: Towards a Molecular Understanding of Cation–Anion Interactions—Probing the Electronic Structure of Imidazolium Ionic Liquids by NMR Spectroscopy, X‐ray Photoelectron Spectroscopy and Theoretical Calculations (Chem. Eur. J. 30/2010)
Chemistry - A European Journal·2010· 4 cited
Towards a Molecular Understanding of Cation–Anion Interactions—Probing the Electronic Structure of Imidazolium Ionic Liquids by NMR Spectroscopy, X‐ray Photoelectron Spectroscopy and Theoretical Calculations
Chemistry - A European Journal·2010· 295 cited
Structure and dynamics of the protic ionic liquid monomethylammonium nitrate ([CH3NH3][NO3]) from <i>ab initio</i> molecular dynamics simulations
The Journal of Chemical Physics·2010· 119 cited
Unexpected Hydrogen Bond Dynamics in Imidazolium-Based Ionic Liquids
The Journal of Physical Chemistry B·2009· 118 cited
Relativistic all-electron molecular dynamics simulations
The Journal of Chemical Physics·2009· 30 cited
Why are ionic liquid ions mainly associated in water? A Car–Parrinello study of 1-ethyl-3-methyl-imidazolium chloride water mixture
The Journal of Chemical Physics·2008· 136 cited
Intermolecular Forces in an Ionic Liquid ([Mmim][Cl]) versus Those in a Typical Salt (NaCl)
Angewandte Chemie International Edition·2008· 184 cited
Zwischenmolekulare Kräfte einer ionischen Flüssigkeit ([Mmim][Cl]) im Vergleich mit denen eines typischen Salzes (NaCl)
Angewandte Chemie·2008· 22 cited
When Is a Molecule Properly Solvated by a Continuum Model or in a Cluster Ansatz? A First-Principles Simulation of Alanine Hydration
The Journal of Physical Chemistry B·2008· 40 cited
What keeps ionic liquids in flow?
Physical Chemistry Chemical Physics·2008· 130 cited
Basis Set Superposition Error along the Free-Energy Surface of the Water Dimer
Journal of Chemical Theory and Computation·2007· 4 cited
Car–Parrinello Molecular Dynamics Simulations and Biological Systems
Topics in Current Chemistry·2006· 22 cited
Cooperativity in ionic liquids
The Journal of Chemical Physics·2006· 156 citedOpen Access
Hydrogen Bond Detection
The Journal of Physical Chemistry A·2006· 62 cited

Frequent Co-authors

Barbara Kirchner(17), Stefan Zahn(7), Christian Spickermann(3), Martin Brehm(3), Till Cremer(2), Claudia Kolbeck(2), Kevin R. J. Lovelock(2), Natalia Paape(2), René Wölfel(2), Peter S. Schulz(2), Peter Wasserscheid(2), Henry Weber(2), Florian Maier(2), Hans‐Peter Steinrück(2), F. Uhlig(2), Patricia A. Hunt(2), Tom Welton(2), Ari P. Seitsonen(2), Katharina Wendler(1), Simone Koßmann(1)