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Jonathan H Skone
Jonathan H Skone
Lawerence Berkeley National Lab
Verified email at lbl.gov - Homepage
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Cited by
Cited by
Year
Self-consistent hybrid functional for condensed systems
JH Skone, M Govoni, G Galli
Physical Review B 89 (19), 195112, 2014
3512014
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
1542006
Nonempirical range-separated hybrid functionals for solids and molecules
JH Skone, M Govoni, G Galli
Physical Review B 93 (23), 235106, 2016
1452016
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
1322013
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
1202018
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
982008
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
742016
Nuclear-electronic orbital nonorthogonal configuration interaction approach
JH Skone, MV Pak, S Hammes-Schiffer
The Journal of chemical physics 123 (13), 2005
652005
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
362009
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
272019
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
132008
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
132002
The Nuclear-Electronic Orbital (NEO) Method Developed by the group of Sharon Hammes-Schiffer at The Pennsylvania State University, University Park, PA Coded by Simon P. Webb …
C Swalina, J Skone, JH Skone, MV Pak
Chem. Phys. Lett 404, 394-399, 2005
122005
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
52002
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, 1-5, 2021
12021
Quantum mechanical methods for calculating proton tunneling splittings and proton-coupled electron transfer vibronic couplings
JH Skone
The Pennsylvania State University, 2008
12008
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
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