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Christian Krekeler

Showing results (1-10 of 9) with videos related to

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The Journal of Chemical Physics|April 10, 2008
Lone pair versus bonding pair electrons: the mechanism of electronic polarization of water in the presence of positive ionsChristian Krekeler, Luigi Delle Site
Physical Chemistry Chemical Physics : PCCP|January 28, 2017
Towards open boundary molecular dynamics simulation of ionic liquidsChristian Krekeler, Luigi Delle Site
The Journal of Chemical Physics|September 1, 2006
Density functional study of ion hydration for the alkali metal ions (Li+, Na+, K+) and the halide ions (F-, Br-, Cl-)Christian Krekeler, Berk Hess, Luigi Delle Site
The Journal of Physical Chemistry. B|January 22, 2008
Effect of anions on static orientational correlations, hydrogen bonds, and dynamics in ionic liquids: a simulational studyBaofu Qiao, Christian Krekeler, Robert Berger, et al.
The Journal of Chemical Physics|July 16, 2018
Adaptive resolution molecular dynamics technique: Down to the essentialChristian Krekeler, Animesh Agarwal, Christoph Junghans, et al.
The Journal of Physical Chemistry. B|April 20, 2010
Ionic charge reduction and atomic partial charges from first-principles calculations of 1,3-dimethylimidazolium chlorideJochen Schmidt, Christian Krekeler, Florian Dommert, et al.
The Journal of Chemical Physics|December 3, 2008
Study of 1,3-dimethylimidazolium chloride with electronic structure methods and force field approachesChristian Krekeler, Jochen Schmidt, Yuan Yuan Zhao, et al.
The Journal of Chemical Physics|December 17, 2008
A comparative study of two classical force fields on statics and dynamics of [EMIM][BF4] investigated via molecular dynamics simulationsFlorian Dommert, Jochen Schmidt, Baofu Qiao, et al.
The Journal of Physical Chemistry Letters|August 13, 2015
Infrared Spectroscopic Study of Vibrational Modes in Methylammonium Lead Halide PerovskitesTobias Glaser, Christian Müller, Michael Sendner, et al.
Pageof 1

Showing results (1-10 of 9) with videos related to

Sort By:
Pageof 1
The Journal of Chemical Physics|April 10, 2008
Lone pair versus bonding pair electrons: the mechanism of electronic polarization of water in the presence of positive ionsChristian Krekeler, Luigi Delle Site
Physical Chemistry Chemical Physics : PCCP|January 28, 2017
Towards open boundary molecular dynamics simulation of ionic liquidsChristian Krekeler, Luigi Delle Site
The Journal of Chemical Physics|September 1, 2006
Density functional study of ion hydration for the alkali metal ions (Li+, Na+, K+) and the halide ions (F-, Br-, Cl-)Christian Krekeler, Berk Hess, Luigi Delle Site
The Journal of Physical Chemistry. B|January 22, 2008
Effect of anions on static orientational correlations, hydrogen bonds, and dynamics in ionic liquids: a simulational studyBaofu Qiao, Christian Krekeler, Robert Berger, et al.
The Journal of Chemical Physics|July 16, 2018
Adaptive resolution molecular dynamics technique: Down to the essentialChristian Krekeler, Animesh Agarwal, Christoph Junghans, et al.
The Journal of Physical Chemistry. B|April 20, 2010
Ionic charge reduction and atomic partial charges from first-principles calculations of 1,3-dimethylimidazolium chlorideJochen Schmidt, Christian Krekeler, Florian Dommert, et al.
The Journal of Chemical Physics|December 3, 2008
Study of 1,3-dimethylimidazolium chloride with electronic structure methods and force field approachesChristian Krekeler, Jochen Schmidt, Yuan Yuan Zhao, et al.
The Journal of Chemical Physics|December 17, 2008
A comparative study of two classical force fields on statics and dynamics of [EMIM][BF4] investigated via molecular dynamics simulationsFlorian Dommert, Jochen Schmidt, Baofu Qiao, et al.
The Journal of Physical Chemistry Letters|August 13, 2015
Infrared Spectroscopic Study of Vibrational Modes in Methylammonium Lead Halide PerovskitesTobias Glaser, Christian Müller, Michael Sendner, et al.
Pageof 1