دنبال کردن
Rajendra Zope
Rajendra Zope
Department of Physics, University of Texas at El Paso
ایمیل تأیید شده در utep.edu - صفحهٔ اصلی
عنوان
نقل شده توسط
نقل شده توسط
سال
Interatomic potentials for atomistic simulations of the Ti-Al system‏
RR Zope, Y Mishin‏
Physical Review B 68 (2), 024102, 2003‏
7982003
Snub boron nanostructures: Chiral fullerenes, nanotubes and planar sheet‏
RR Zope, T Baruah‏
Chemical Physics Letters 501 (4-6), 193-196, 2011‏
882011
A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction‏
RR Zope, Y Yamamoto, CM Diaz, T Baruah, JE Peralta, KA Jackson, ...‏
The Journal of Chemical Physics 151 (21), 214108, 2019‏
842019
Palladium clusters supported on graphene monovacancies for hydrogen storage‏
CM Ramos-Castillo, JU Reveles, RR Zope, R De Coss‏
The Journal of Physical Chemistry C 119 (15), 8402-8409, 2015‏
842015
Self-interaction error overbinds water clusters but cancels in structural energy differences‏
K Sharkas, K Wagle, B Santra, S Akter, RR Zope, T Baruah, KA Jackson, ...‏
Proceedings of the National Academy of Sciences 117 (21), 11283-11288, 2020‏
802020
Conformers of Al 13, Al 12 M, and Al 13 M (M= Cu, Ag, and Au) clusters and their energetics‏
RR Zope, T Baruah‏
Physical Review A 64 (5), 053202, 2001‏
792001
Static dielectric response of icosahedral fullerenes from C 60 to C 2160 characterized by an all-electron density functional theory‏
RR Zope, T Baruah, MR Pederson, BI Dunlap‏
Physical Review B 77 (11), 115452, 2008‏
782008
Boron fullerenes: from B 80 to hole doped boron sheets‏
RR Zope, T Baruah, KC Lau, AY Liu, MR Pederson, BI Dunlap‏
Physical Review B 79 (16), 161403, 2009‏
762009
Ti4- and Ni4-Doped Defective Graphene Nanoplatelets as Efficient Materials for Hydrogen Storage‏
CM Ramos-Castillo, JU Reveles, ME Cifuentes-Quintal, RR Zope, ...‏
The Journal of Physical Chemistry C 120 (9), 5001-5009, 2016‏
702016
Stretched or noded orbital densities and self-interaction correction in density functional theory‏
C Shahi, P Bhattarai, K Wagle, B Santra, S Schwalbe, T Hahn, J Kortus, ...‏
The Journal of chemical physics 150 (17), 174102, 2019‏
672019
Electronic structure, vibrational stability, infra-red, and Raman spectra of B24N24 cages‏
RR Zope, T Baruah, MR Pederson, BI Dunlap‏
Chemical physics letters 393 (4-6), 300-304, 2004‏
652004
Vibrational stability and electronic structure of a B 80 fullerene‏
T Baruah, MR Pederson, RR Zope‏
Physical Review B 78 (4), 045408, 2008‏
622008
Are hemispherical caps of boron–nitride nanotubes possible?‏
RR Zope, BI Dunlap‏
Chemical physics letters 386 (4-6), 403-407, 2004‏
602004
Are hemispherical caps of boron–nitride nanotubes possible?‏
RR Zope, BI Dunlap‏
Chemical physics letters 386 (4-6), 403-407, 2004‏
602004
Fermi-Löwdin orbital self-interaction correction using the strongly constrained and appropriately normed meta-GGA functional‏
Y Yamamoto, CM Diaz, L Basurto, KA Jackson, T Baruah, RR Zope‏
The Journal of chemical physics 151 (15), 154105, 2019‏
572019
Temperature dependence of the polarizability of sodium clusters‏
SA Blundell, C Guet, RR Zope‏
Physical review letters 84 (21), 4826, 2000‏
572000
Electronic structure of fullerenelike cages and finite nanotubes of aluminum nitride‏
RR Zope, BI Dunlap‏
Physical Review B 72 (4), 045439, 2005‏
552005
Efficient quantum-chemical geometry optimization and the structure of large icosahedral fullerenes‏
BI Dunlap, RR Zope‏
Chemical physics letters 422 (4-6), 451-454, 2006‏
542006
Charge transfer excited state energies by perturbative delta self consistent field method‏
T Baruah, M Olguin, RR Zope‏
The Journal of chemical physics 137 (8), 084316, 2012‏
522012
The effect of self-interaction error on electrostatic dipoles calculated using density functional theory‏
AI Johnson, KPK Withanage, K Sharkas, Y Yamamoto, T Baruah, ...‏
The Journal of Chemical Physics 151 (17), 174106, 2019‏
462019
سیستم در حال حاضر قادر به انجام عملکرد نیست. بعداً دوباره امتحان کنید.
مقاله‌ها 1–20