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Juan E. Peralta
Juan E. Peralta
Department of Physics and Science of Advanced Materials Program, Central Michigan University
Verified email at cmich.edu - Homepage
Title
Cited by
Cited by
Year
Gaussian 09 Revision D. 01
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
120799*2014
Gaussian 16, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc.: Wallingford, CT, USA, 2016
19552*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
19332005
Enhanced half-metallicity in edge-oxidized zigzag graphene nanoribbons
O Hod, V Barone, JE Peralta, GE Scuseria
Nano letters 7 (8), 2295-2299, 2007
6182007
Gaussian 16, Rev. C. 01, Gaussian, Inc., Wallingford, CT
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
5212016
Magnetic boron nitride nanoribbons with tunable electronic properties
V Barone, JE Peralta
Nano letters 8 (8), 2210-2214, 2008
3602008
Angular dependence of spin–spin coupling constants
RH Contreras, JE Peralta
Progress in Nuclear Magnetic Resonance Spectroscopy 37 (4), 321-425, 2000
3502000
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 74 (7), 073101, 2006
2142006
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
1932003
Edge effects in finite elongated graphene nanoribbons
O Hod, JE Peralta, GE Scuseria
Physical Review B 76 (23), 233401, 2007
1872007
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
1802002
Lithium adsorption on zigzag graphene nanoribbons
C Uthaisar, V Barone, JE Peralta
Journal of Applied Physics 106 (11), 2009
1442009
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
1322010
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
1292011
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
1192019
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
1162003
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
1142004
Screened exchange hybrid density-functional study of the work function of pristine and doped single-walled carbon nanotubes
V Barone, JE Peralta, J Uddin, GE Scuseria
The Journal of chemical physics 124 (2), 2006
1092006
Density functional theory study of optical transitions in semiconducting single-walled carbon nanotubes
V Barone, JE Peralta, M Wert, J Heyd, GE Scuseria
Nano letters 5 (8), 1621-1624, 2005
1082005
Through-Bond and Through-Space JFF Spin−Spin Coupling in Peridifluoronaphthalenes:  Accurate DFT Evaluation of the Four Contributions
JE Peralta, V Barone, RH Contreras, DG Zaccari, JP Snyder
Journal of the American Chemical Society 123 (37), 9162-9163, 2001
1042001
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