Gaussian 09 Revision D. 01 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... | 72990* | 2014 |
Gaussian 16, Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc.: Wallingford, CT, USA, 2016 | 4518* | 2016 |
Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional J Heyd, JE Peralta, GE Scuseria, RL Martin The Journal of chemical physics 123 (17), 2005 | 1967 | 2005 |
Enhanced half-metallicity in edge-oxidized zigzag graphene nanoribbons O Hod, V Barone, JE Peralta, GE Scuseria Nano letters 7 (8), 2295-2299, 2007 | 627 | 2007 |
RA Gaussian09, 1 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian, Inc., Wallingford CT 121, 150-166, 2009 | 441* | 2009 |
Magnetic boron nitride nanoribbons with tunable electronic properties V Barone, JE Peralta Nano letters 8 (8), 2210-2214, 2008 | 369 | 2008 |
Angular dependence of spin–spin coupling constants RH Contreras, JE Peralta Progress in Nuclear Magnetic Resonance Spectroscopy 37 (4), 321-425, 2000 | 358 | 2000 |
Spin-orbit splittings and energy band gaps calculated with the Heyd-Scuseria-Ernzerhof screened hybrid functional JE Peralta, J Heyd, GE Scuseria, RL Martin Physical Review B—Condensed Matter and Materials Physics 74 (7), 073101, 2006 | 225 | 2006 |
Basis set dependence of NMR spin–spin couplings in density functional theory calculations: First row and hydrogen atoms JE Peralta, GE Scuseria, JR Cheeseman, MJ Frisch Chemical physics letters 375 (5-6), 452-458, 2003 | 198 | 2003 |
Edge effects in finite elongated graphene nanoribbons O Hod, JE Peralta, GE Scuseria Physical Review B—Condensed Matter and Materials Physics 76 (23), 233401, 2007 | 191 | 2007 |
DFT Calculation of NMR JFF Spin−Spin Coupling Constants in Fluorinated Pyridines V Barone, JE Peralta, RH Contreras, JP Snyder The Journal of Physical Chemistry A 106 (23), 5607-5612, 2002 | 186 | 2002 |
Gaussian 16, Revision C. 01. Gaussian, Inc., Wallingford CT. 2016 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... There is no corresponding record for this reference, 2016 | 181* | 2016 |
Electronic properties of the biphenylene sheet and its one-dimensional derivatives MA Hudspeth, BW Whitman, V Barone, JE Peralta ACS nano 4 (8), 4565-4570, 2010 | 151 | 2010 |
Gaussian 09; Gaussian GW Trucks, HB Schlegel, GE Scuseria, MA Robb, JR Cheeseman, ... Inc., Wallingford, CT, 2009 | 146* | 2009 |
Lithium adsorption on zigzag graphene nanoribbons C Uthaisar, V Barone, JE Peralta Journal of Applied Physics 106 (11), 2009 | 144 | 2009 |
Machine learning the voltage of electrode materials in metal-ion batteries RP Joshi, J Eickholt, L Li, M Fornari, V Barone, JE Peralta ACS applied materials & interfaces 11 (20), 18494-18503, 2019 | 133 | 2019 |
Accurate prediction of the electronic properties of low-dimensional graphene derivatives using a screened hybrid density functional V Barone, O Hod, JE Peralta, GE Scuseria Accounts of chemical research 44 (4), 269-279, 2011 | 131 | 2011 |
Substituent Effects on Scalar 2J(19F,19F) and 3J(19F,19F) NMR Couplings: A Comparison of SOPPA and DFT Methods V Barone, PF Provasi, JE Peralta, JP Snyder, SPA Sauer, RH Contreras The Journal of Physical Chemistry A 107 (23), 4748-4754, 2003 | 120 | 2003 |
Gaussian09 Program; Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc.: Wallingford, CT, USA, 2016 | 118* | 2016 |
Density functional investigations of the properties and thermochemistry of and using valence-electron and all-electron approaches ER Batista, RL Martin, PJ Hay, JE Peralta, GE Scuseria The Journal of chemical physics 121 (5), 2144-2150, 2004 | 117 | 2004 |