| Self-consistent hybrid functional for condensed systems JH Skone, M Govoni, G Galli Physical Review B 89 (19), 195112, 2014 | 382 | 2014 |
| Nonempirical range-separated hybrid functionals for solids and molecules JH Skone, M Govoni, G Galli Physical Review B 93 (23), 235106, 2016 | 167 | 2016 |
| Calculation of vibronic couplings for phenoxyl/phenol and benzyl/toluene self-exchange reactions: Implications for proton-coupled electron transfer mechanisms JH Skone, AV Soudackov, S Hammes-Schiffer Journal of the American Chemical Society 128 (51), 16655-16663, 2006 | 162 | 2006 |
| Tuning Lewis acidity of metal–organic frameworks via perfluorination of bridging ligands: spectroscopic, theoretical, and catalytic studies P Ji, T Drake, A Murakami, P Oliveres, JH Skone, W Lin Journal of the American Chemical Society 140 (33), 10553-10561, 2018 | 155 | 2018 |
| Toward the accurate calculation of pKa values in water and acetonitrile JT Muckerman, JH Skone, M Ning, Y Wasada-Tsutsui Biochimica et Biophysica Acta (BBA)-Bioenergetics 1827 (8-9), 882-891, 2013 | 151 | 2013 |
| Theoretical studies of proton-coupled electron transfer: models and concepts relevant to bioenergetics S Hammes-Schiffer, E Hatcher, H Ishikita, JH Skone, AV Soudackov Coordination chemistry reviews 252 (3-4), 384-394, 2008 | 100 | 2008 |
| Photoelectron spectra of aqueous solutions from first principles AP Gaiduk, M Govoni, R Seidel, JH Skone, B Winter, G Galli Journal of the American Chemical Society 138 (22), 6912-6915, 2016 | 81 | 2016 |
| Nuclear-electronic orbital nonorthogonal configuration interaction approach JH Skone, MV Pak, S Hammes-Schiffer The Journal of chemical physics 123 (13), 2005 | 72 | 2005 |
| Combining the nuclear-electronic orbital approach with vibronic coupling theory: Calculation of the tunneling splitting for malonaldehyde A Hazra, JH Skone, S Hammes-Schiffer The Journal of chemical physics 130 (5), 2009 | 37 | 2009 |
| Qresp, a tool for curating, discovering and exploring reproducible scientific papers M Govoni, M Munakami, A Tanikanti, JH Skone, HB Runesha, F Giberti, ... Scientific data 6 (1), 1-7, 2019 | 30 | 2019 |
| Canonical parallel tempering simulations of clusters Thermodynamic properties and the redshift as a function of temperature JH Skone, E Curotto The Journal of chemical physics 117 (15), 7137-7146, 2002 | 13 | 2002 |
| Substituent effects on the vibronic coupling for the phenoxyl/phenol self-exchange reaction MK Ludlow, JH Skone, S Hammes-Schiffer The Journal of Physical Chemistry B 112 (2), 336-343, 2008 | 12 | 2008 |
| Two Krylov space algorithms for repeated large scale sparse matrix diagonalization JH Skone, E Curotto The Journal of chemical physics 116 (8), 3210-3222, 2002 | 5 | 2002 |
| Skyway: a seamless solution for bursting workloads from on-premises HPC clusters to commercial clouds Y Peng, J Skone, C Christ, H Runesha Practice and Experience in Advanced Research Computing 2021: Evolution …, 2021 | 3 | 2021 |
| Quantum mechanical methods for calculating proton tunneling splittings and proton-coupled electron transfer vibronic couplings JH Skone The Pennsylvania State University, 2008 | 1 | 2008 |
| Raising the bar for accessibility and sustainability of data published in scientific papers M Govoni, M Munakami, A Tanikanti, J Skone, H Runesha, J De Pablo, ... APS March Meeting Abstracts 2018, P12. 010, 2018 | | 2018 |
| Dielectric-dependent Density Functionals for Accurate Electronic Structure Calculations of Molecules and Solids J Skone, M Govoni, G Galli APS March Meeting Abstracts 2016, B20. 004, 2016 | | 2016 |
| Photoemission spectra of aqueous solutions of salts from many-body perturbation theory AP Gaiduk, JH Skone, M Govoni, G Galli APS March Meeting Abstracts 2016, H32. 012, 2016 | | 2016 |
| Using Dielectric Properties to Design Nonempirical Hybrid Functionals for Accurate Electronic Structure J Skone, M Govoni, G Galli APS March Meeting Abstracts 2015, B24. 004, 2015 | | 2015 |
| A Self-consistent Mixing Parameter Scheme for Hybrid Functionals Applied to Periodic Systems J Skone, M Govoni, G Galli APS March Meeting Abstracts 2014, A27. 004, 2014 | | 2014 |