Прати
Juan E. Peralta
Juan E. Peralta
Department of Physics and Science of Advanced Materials Program, Central Michigan University
Верификована је имејл адреса на cmich.edu - Почетна страница
Наслов
Навело
Навело
Година
Gaussian 09 Revision D. 01
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
63112*2014
Gaussian 16, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Wallingford CT 2016, 2016
4782*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
21002005
Enhanced half-metallicity in edge-oxidized zigzag graphene nanoribbons
O Hod, V Barone, JE Peralta, GE Scuseria
Nano letters 7 (8), 2295-2299, 2007
6342007
Magnetic boron nitride nanoribbons with tunable electronic properties
V Barone, JE Peralta
Nano letters 8 (8), 2210-2214, 2008
3742008
Angular dependence of spin–spin coupling constants
RH Contreras, JE Peralta
Progress in Nuclear Magnetic Resonance Spectroscopy 37 (4), 321-425, 2000
3612000
Gaussian 09, Revision C01 Inc
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Wallingford Ct, 2010
3022010
Gaussian Inc 16, revision A. 03
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian Inc.: Wallingford, CT, 2016
246*2016
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
2332006
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
2022003
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
1882007
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
1832002
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
1752010
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
1572019
Lithium adsorption on zigzag graphene nanoribbons
C Uthaisar, V Barone, JE Peralta
Journal of Applied Physics 106 (11), 2009
1482009
Gaussian 09 (Gaussian, Inc., Wallingford, CT)
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
1382009
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
1342011
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
1252003
Wallingford
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
CT: Gaussian 9, 2016
1222016
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
1192004
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