Jochen Schmidt

Isobaric−Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions

Jochen Schmidt, Joost VandeVondele, I‐Feng W. Kuo et al. · The Journal of Physical Chemistry B · 2009 · 352 citations · Full text

From Armchair to Zigzag Peripheries in Nanographenes

Marcel Kastler, Jochen Schmidt, Wojciech Pisula et al. · Journal of the American Chemical Society · 2006 · 162 citations

Ionic Charge Reduction and Atomic Partial Charges from First-Principles Calculations of 1,3-Dimethylimidazolium Chloride

Jochen Schmidt, Christian Krekeler, Florian Dommert et al. · The Journal of Physical Chemistry B · 2010 · 127 citations

Engineering, Atomic Partial Charges, Single Ion Pair +17

A comparative study of two classical force fields on statics and dynamics of [EMIM][BF4] investigated via molecular dynamics simulations

Florian Dommert, Jochen Schmidt, Baofu Qiao et al. · The Journal of Chemical Physics · 2008 · 95 citations

On the mechanism of (C,H3,O).cntdot.loss from inoized methyl acetate. An ab initio molecular orbital study

Nikolaus Heinrich, Jochen Schmidt, Helmut Schwarz et al. · Journal of the American Chemical Society · 1987 · 78 citations

Engineering, Chemical Analysis, Biochemistry +11