Dilek Coskun
Affiliations: | 2014- | Chemistry | Columbia University, New York, NY |
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| Coskun D, Chen W, Clark AJ, et al. (2022) Reliable and Accurate Prediction of Single-Residue p Values through Free Energy Perturbation Calculations. Journal of Chemical Theory and Computation |
| Rudshteyn B, Weber JL, Coskun D, et al. (2022) Calculation of Metallocene Ionization Potentials via Auxiliary Field Quantum Monte Carlo: Toward Benchmark Quantum Chemistry for Transition Metals. Journal of Chemical Theory and Computation |
| Rudshteyn B, Coskun D, Weber JL, et al. (2020) Predicting Ligand-Dissociation Energies of 3 Coordination Complexes with Auxiliary-Field Quantum Monte Carlo. Journal of Chemical Theory and Computation |
| Li G, Rudshteyn B, Shee J, et al. (2020) Accurate Quantum Chemical Calculation of Ionization Potentials: Validation of the DFT-LOC Approach via a Large Data Set Obtained from Experiment and Benchmark Quantum Chemical Calculations. Journal of Chemical Theory and Computation |
| Coskun D, Jerome SV, Friesner RA. (2016) Evaluation of the performance of the B3LYP, PBE0, and M06 DFT functionals, and DBLOC-corrected versions, in the calculation of redox potentials and spin splittings for transition metal containing systems. Journal of Chemical Theory and Computation |