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Juan E. Peralta
Juan E. Peralta
Department of Physics and Science of Advanced Materials Program, Central Michigan University
在 cmich.edu 的电子邮件经过验证 - 首页
标题
引用次数
引用次数
年份
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
19672005
Enhanced half-metallicity in edge-oxidized zigzag graphene nanoribbons
O Hod, V Barone, JE Peralta, GE Scuseria
Nano letters 7 (8), 2295-2299, 2007
6272007
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
3692008
Angular dependence of spin–spin coupling constants
RH Contreras, JE Peralta
Progress in Nuclear Magnetic Resonance Spectroscopy 37 (4), 321-425, 2000
3582000
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
2252006
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
1982003
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
1912007
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
1862002
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
1512010
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
1442009
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
1332019
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
1312011
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
1202003
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
1172004
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