Benchmark calculations of water–acene interaction energies: Extrapolation to the water–graphene limit and assessment of dispersion–corrected DFT methods GR Jenness, O Karalti, KD Jordan Physical Chemistry Chemical Physics 12 (24), 6375-6381, 2010 | 126 | 2010 |
Does the donor–acceptor concept work for designing synthetic metals? U Salzner, O Karalti, D Serdar Journal of Molecular Modeling 12 (5), 687-701, 2006 | 57 | 2006 |
Adsorption of a water molecule on the MgO (100) surface as described by cluster and slab models O Karalti, D Alfe, MJ Gillan, KD Jordan Physical Chemistry Chemical Physics 14 (21), 7846-7853, 2012 | 34 | 2012 |
Evaluation of theoretical approaches for describing the interaction of water with linear acenes GR Jenness, O Karalti, WA Al-Saidi, KD Jordan The Journal of Physical Chemistry A 115 (23), 5955-5964, 2011 | 29 | 2011 |
Correcting density functionals for dispersion interactions using pseudopotentials O Karalti, X Su, WA Al-Saidi, KD Jordan Chemical Physics Letters 591, 133-136, 2014 | 17 | 2014 |
A Metal Dicyanamide Cluster with High CO2/N2 Selectivity A Tekin, O Karalti, F Karadas Microporous and Mesoporous Materials, 2016 | 12 | 2016 |
Extended disperson-corrected atom-centered potential (DCACP) approach for treating long-range dispersion interactions in clusters and solids K Jordan, O Karalti, W Al-Saidi APS March Meeting Abstracts 2014, D31. 010, 2014 | | 2014 |
Correcting density functional theory methods for dispersion interactions using pseudopotentials O Karalti University of Pittsburgh, 2014 | | 2014 |
Reactions of Hydroperoxyl Radical with Benzene Derivatives: A DFT Study O Karalti The Ohio State University, 2008 | | 2008 |
A Desity Functional Study on Narrow Band Gap Donor-Acceptor Type Conducting Polymers O Karaltı PQDT-Global, 2004 | | 2004 |