| Ionic liquids as electrolytes for electrochemical double-layer capacitors: structures that optimize specific energy MPS Mousavi, BE Wilson, S Kashefolgheta, EL Anderson, S He, ... ACS applied materials & interfaces 8 (5), 3396-3406, 2016 | 215 | 2016 |
| Developing force fields when experimental data is sparse: AMBER/GAFF-compatible parameters for inorganic and alkyl oxoanions S Kashefolgheta, AV Verde Physical Chemistry Chemical Physics 19 (31), 20593-20607, 2017 | 53 | 2017 |
| Electrochemical stability of quaternary ammonium cations: an experimental and computational study MPS Mousavi, S Kashefolgheta, A Stein, P Bühlmann Journal of The Electrochemical Society 163 (2), H74, 2015 | 43 | 2015 |
| Evaluating classical force fields against experimental cross-solvation free energies S Kashefolgheta, MP Oliveira, SR Rieder, BAC Horta, WE Acree Jr, ... Journal of chemical theory and computation 16 (12), 7556-7580, 2020 | 37 | 2020 |
| Imbalanced tunneling ready states in alcohol dehydrogenase model reactions: rehybridization lags behind H-tunneling B Hammann, M Razzaghi, S Kashefolgheta, Y Lu Chemical communications 48 (92), 11337-11339, 2012 | 22 | 2012 |
| Is the solution activity derivative sufficient to parameterize ion-ion interactions in aqueous solution?-ions for TIP5P water Vahid Satarifard, Sadra Kashefolgheta, Ana Vila Verde, Andrea Grafmueller Journal of Chemical Theory and Computation, 2017 | 19 | 2017 |
| Computational Replication of the Abnormal Secondary Kinetic Isotope Effects in a Hydride Transfer Reaction in Solution with a Motion Assisted H-Tunneling Model S Kashefolgheta, M Razzaghi, B Hammann, J Eilers, D Roston, Y Lu The Journal of Organic Chemistry 79 (5), 1989-1994, 2014 | 19 | 2014 |
| Evaluation of nine condensed-phase force fields of the GROMOS, CHARMM, OPLS, AMBER, and OpenFF families against experimental cross-solvation free energies S Kashefolgheta, S Wang, WE Acree, PH Hünenberger Physical Chemistry Chemical Physics 23 (23), 13055-13074, 2021 | 12 | 2021 |
| Computational Replication of the Primary Isotope Dependence of Secondary Kinetic Isotope Effects in Solution Hydride-Transfer Reactions: Supporting the Isotopically Different … M Derakhshani-Molayousefi, S Kashefolgheta, JE Eilers, Y Lu The Journal of Physical Chemistry A 120 (25), 4277-4284, 2016 | 11 | 2016 |
| Comparison of the united-and all-atom representations of (halo) alkanes based on two condensed-phase force fields optimized against the same experimental data set MP Oliveira, YMH Gonçalves, SK Ol Gheta, SR Rieder, BAC Horta, ... Journal of Chemical Theory and Computation 18 (11), 6757-6778, 2022 | 3 | 2022 |
| Correction: Developing force fields when experimental data is sparse: AMBER/GAFF-compatible parameters for inorganic and alkyl oxoanions S Kashefolgheta, AV Verde Physical Chemistry Chemical Physics 20 (44), 28346-28347, 2018 | 2 | 2018 |
| Simultaneous parametrization of torsional and third‐neighbor interaction terms in force‐field development: The LLS‐SC algorithm YMH Gonçalves, S Kashefolgheta, MP Oliveira, PH Hünenberger, ... Journal of Computational Chemistry 43 (9), 644-653, 2022 | 1 | 2022 |
| Predicting absolute aqueous solubility by applying a machine learning model for an artificially liquid-state as proxy for the solid-state SKO Gheta, A Bonin, T Gerlach, AH Göller Journal of Computer-Aided Molecular Design 37 (12), 765-789, 2023 | | 2023 |
| Developing Ion Parameters and Investigating Ion Specific Effects in Biological Systems S Kashef Ol Gheta | | 2017 |
| Seeking Tunneling Ready State Structures for the Oxidation of Alcohols by NAD Analogues in Solution S Kashefolgheta Chemistry, Southern Illinois University Edwardsville, 2012 | | 2012 |
| Supporting Information for” Evaluation of nine condensed-phase force fields of the GROMOS, CHARMM, OPLS, AMBER and OpenFF families against experimental cross-solvation free … S Kashefolgheta, S Wang, WE Acree Jr, PH Hünenberger | | |
Andreas SteinUniversity of MinnesotaVerified email at umn.edu
