Sadra Kashefolgheta
ETH Zurich(CH)
Publications by Year
Research Areas
Spectroscopy and Quantum Chemical Studies, Ionic liquids properties and applications, Chemical Reactions and Isotopes, Protein Structure and Dynamics, Electrochemical Analysis and Applications
Most-Cited Works
- → Ionic Liquids as Electrolytes for Electrochemical Double-Layer Capacitors: Structures that Optimize Specific Energy(2016)212 cited
- → Developing force fields when experimental data is sparse: AMBER/GAFF-compatible parameters for inorganic and alkyl oxoanions(2017)77 cited
- → Electrochemical Stability of Quaternary Ammonium Cations: An Experimental and Computational Study(2015)47 cited
- → Evaluating Classical Force Fields against Experimental Cross-Solvation Free Energies(2020)41 cited
- → Evaluation of nine condensed-phase force fields of the GROMOS, CHARMM, OPLS, AMBER, and OpenFF families against experimental cross-solvation free energies(2021)36 cited
- → Imbalanced tunneling ready states in alcohol dehydrogenase model reactions: rehybridization lags behind H-tunneling(2012)18 cited
- → Is the Solution Activity Derivative Sufficient to Parametrize Ion–Ion Interactions? Ions for TIP5P Water(2017)18 cited
- → Computational Replication of the Abnormal Secondary Kinetic Isotope Effects in a Hydride Transfer Reaction in Solution with a Motion Assisted H-Tunneling Model(2014)12 cited
- → 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(2016)11 cited
- → Correction: Developing force fields when experimental data is sparse: AMBER/GAFF-compatible parameters for inorganic and alkyl oxoanions(2018)3 cited