검색결과 : 5건
| No. | Article |
|---|---|
| 1 |
Performance of Quantum Chemically Derived Charges and Persistence of Ion Cages in Ionic Liquids. A Molecular Dynamics Simulations Study of 1-n-Butyl-3-methylimidazolium Bromide Kohagen M, Brehm M, Thar J, Zhao W, Muller-Plathe F, Kirchner B Journal of Physical Chemistry B, 115(4), 693, 2011 |
| 2 |
Estimating the Hydrogen Bond Energy Wendler K, Thar J, Zahn S, Kirchner B Journal of Physical Chemistry A, 114(35), 9529, 2010 |
| 3 |
Unexpected Hydrogen Bond Dynamics in Imidazolium-Based Ionic Liquids Thar J, Brehm M, Seitsonen AP, Kirchner B Journal of Physical Chemistry B, 113(46), 15129, 2009 |
| 4 |
When is a molecule properly solvated by a continuum model or in a cluster ansatz? A first-principles simulation of alanine hydration Thar J, Zahn S, Kirchner B Journal of Physical Chemistry B, 112(5), 1456, 2008 |
| 5 |
Hydrogen bond detection Thar J, Kirchner B Journal of Physical Chemistry A, 110(12), 4229, 2006 |