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Juan E. Peralta
Juan E. Peralta
Department of Physics and Science of Advanced Materials Program, Central Michigan University
Email verificata su cmich.edu - Home page
Titolo
Citata da
Citata da
Anno
Gaussian 09 Revision D. 01
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
75147*2014
Gaussian 16/Gaussian
MJ Frisch
Inc, 2016
5169*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
20212005
Enhanced half-metallicity in edge-oxidized zigzag graphene nanoribbons
O Hod, V Barone, JE Peralta, GE Scuseria
Nano letters 7 (8), 2295-2299, 2007
6302007
RA Gaussian09, 1
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian, Inc., Wallingford CT 121, 150-166, 2009
604*2009
Magnetic boron nitride nanoribbons with tunable electronic properties
V Barone, JE Peralta
Nano letters 8 (8), 2210-2214, 2008
3722008
Angular dependence of spin–spin coupling constants
RH Contreras, JE Peralta
Progress in Nuclear Magnetic Resonance Spectroscopy 37 (4), 321-425, 2000
3592000
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
2302006
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
1992003
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
191*2016
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
1892002
Gaussian 09, Revision A. 03, Gaussian, Inc.: Wallingford
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
1672016
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
1642010
Gaussian 09; Gaussian
GW Trucks, HB Schlegel, GE Scuseria, MA Robb, JR Cheeseman, ...
Inc., Wallingford, CT, 2009
149*2009
Lithium adsorption on zigzag graphene nanoribbons
C Uthaisar, V Barone, JE Peralta
Journal of Applied Physics 106 (11), 2009
1452009
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
1432019
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
1332011
Gaussian09 Program; Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc.: Wallingford, CT, USA, 2016
124*2016
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
1212003
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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