Wissenschaftliche Publikationen des Instituts

Suchergebnisse

Zeitschriftenartikel (5)

2017
Zeitschriftenartikel
Kashefolgheta, S.; Vila Verde, A.: Developing force fields when experimental data is sparse: AMBER/GAFF-compatible parameters for inorganic and alkyl oxoanions. Physical Chemistry Chemical Physics 19 (31), S. 20593 - 20607 (2017)
Zeitschriftenartikel
Satarifard, V.; Kashefolgheta, S.; Verde, A. V.; Grafmüller, A.: Is the Solution Activity Derivative Sufficient to Parametrize Ion–Ion Interactions? Ions for TIP5P Water. Journal of Chemical Theory and Computation 13 (5), S. 2112 - 2122 (2017)
2016
Zeitschriftenartikel
Derakhshani-Molayousefi, M.; Kashefolgheta, S.; Eilers, J. E.; Lu, Y.: Computational Replication of the Primary Isotope Dependence of Secondary Kinetic Isotope Effects in Solution Hydride Transfer Reactions: Supporting the Isotopically Different Tunneling Ready State Conformations. The Journal of Physical Chemistry A 120 (25), S. 4277 - 4284 (2016)
Zeitschriftenartikel
Mousavi, M. P. S.; Kashef Ol Gheta, S.; Stein, A.; Bühlmann, P.: Electrochemical Stability of Quaternary Ammonium Cations: An Experimental and Computational Study. Journal of the Electrochemical Society 163 (2), S. H74 - H80 (2016)
Zeitschriftenartikel
Mousavi, M. P. S.; Wilson, B. E.; Kashefolgheta, S.; Anderson, E.; He, S.; Bühlmann, P.; Stein, A.: Ionic Liquids as Electrolytes for Electrochemical Double-Layer Capacitors: Structures that Optimize Specific Energy. ACS Applied Materials and Interfaces 8 (5), S. 3396 - 3406 (2016)

Meeting Abstract (1)

2017
Meeting Abstract
Kashef Ol Gheta, S.; Vila Verde, A.: Excess sodium dramatically alters binding preference between oxoanions and cationic amino acids. In European Biophysics Journal with Biophysics Letters, 46 (Suppl. 1), P-402, S. S219 - S219. 19th IUPAB Congress / 11th EBSA Congress Location: British Biophys Soc, Edinburgh, Scotland, 16. Juli 2017 - 20. Juli 2017. Springer, Berlin (2017)

Hochschulschrift - Doktorarbeit (1)

2017
Hochschulschrift - Doktorarbeit
Kashef Ol Gheta, S.: Developing Ion Parameters and Investigating Ion Specific Effects in Biological Systems. Dissertation, 93 S., Freie Universität Berlin, Berlin (2017)
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