Publications |
- Bromination of cyclopropylidenes measured by the azide clock
C. Schröder, M.-F. Ruasse
I.T.O.D.Y.S. Paris
- Quantum yields for the photodissociation of iodine in compressed liquids
and supercritical fluids
D. Schwarzer, J. Schroeder, C. Schröder
Zeitschrift für Physikalische Chemie, 215, 2, 183-195 (2001)
- Photodissoziation von Jod in überkritischer Phase: Quantenausbeuten
und Atomrekombinationsgeschwindigkeitskonstanten
C. Schröder
Diploma thesis, university of Göttingen, 1999
- Intramolecular vibrational energy redistribution an energy relaxation
in solution: A molecular dynamics approach
G. Käb, C. Schröder, D. Schwarzer
Phys. Chem. Chem. Phys. 4, 271 (2002)
- Molekulardynamische Simulationen zum intra- und intermolekularen
Schwingungsenergietransfer von ausgewählten Molekülen
C. Schröder
PhD thesis, university of Göttingen, 2003
- Intramolecular vibrational energy redistribution in bridged azulene-anthracene
compounds: ballistic energy transport through molecular chains
D. Schwarzer, P. Kutne, C. Schröder, J. Troe
J. Chem. Phys., 121, 1754 (2004)
- Alchemical free energy calculations and multiple conformational substates
M. Leitgeb, C. Schröder, S. Boresch
J. Chem. Phys., 122, 084109 (2005)
- Simulation Studies of the Protein-Water Interface I: Properties at the Molecular
Resolution
C. Schröder, T. Rudas, S. Boresch and O. Steinhauser
J. Chem. Phys., 124, 234907 (2006)
- Simulation Studies of the Protein-Water Interface II: Properties at the Mesoscopic
Resolution
T. Rudas, C. Schröder, S. Boresch and O. Steinhauser
J. Chem. Phys., 124, 234908 (2006)
- Simulation Studies of Ionic Liquids: Orientational Correlations and Static Dielectric
Properties
C. Schröder, T. Rudas and O. Steinhauser
J. Chem. Phys., 125, 244506 (2006)
- Collective Rotational Dynamics in Ionic Liquids: A Computational and Experimental Study
of 1-Butyl-3-methyl-imidazolium Tetrafluoroborate
C. Schröder, C. Wakai, H. Weingärtner and O. Steinhauser
J. Chem. Phys. 126,084511 (2007)
- The impact of anisotropy on the structure and dynamics of ionic liquids:
A computational study of 1-butyl-3-methyl-imidazolium trifluoroacetate
C. Schröder, T. Rudas, G. Neumayr, W. Gansterer and O. Steinhauser
J. Chem. Phys. 127,044505 (2007)
- On the collective network of ionic liquid/water mixtures:
I. Orientational structure
C. Schröder, T. Rudas, G. Neumayr, S. Benkner and O. Steinhauser
J. Chem. Phys. 127,234503 (2007)
- On the computation and contribution of conductivity in molecular ionic liquids
C. Schröder, M. Haberler and O. Steinhauser
J. Chem. Phys. 128,134501 (2008)
- The influence of electrostatic forces on the structure and dynamics
of molecular ionic liquids
C. Schröder, O. Steinhauser
J. Chem. Phys. 128,224503 (2008)
- On the collective network of ionic liquid/water mixtures:
II. Decomposition and interpretation of dielectric spectra
C. Schröder, J. Hunger, A. Stoppa, R. Buchner and O. Steinhauser
J. Chem. Phys. 129, 184501 (2008)
- Grid Services for Parallel Molecular Dynamics with NAMD and CHARMM
S. Benkner, C. Schröder, M. Lucka and O. Steinhauser
Proceedings of the Computational Science and Its Applications, 1036 (2008)
- On the collective network of ionic liquid/water mixtues:
III. Structural analysis of the ionic liquids on the basis of Voronoi
decomposition
C. Schröder, G. Neumayr and O. Steinhauser
J. Chem. Phys. 130, 194503 (2009)
- On the dielectric conductivity of molecular ionic liquids
C. Schröder and O. Steinhauser
J. Chem. Phys. 131, 114504 (2009)
- Molecular dynamics simulation of heat conduction through a molecular chain
C. SchröMder and Vyacheslav Vikhrenko and Dirk Schwarzer
in press in J. Phys. Chem. A
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