| Interatomic potentials for atomistic simulations of the Ti-Al system RR Zope, Y Mishin Physical Review B 68 (2), 024102, 2003 | 902 | 2003 |
| 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 | 95 | 2019 |
| Snub boron nanostructures: Chiral fullerenes, nanotubes and planar sheet RR Zope, T Baruah Chemical Physics Letters 501 (4-6), 193-196, 2011 | 93 | 2011 |
| 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 | 91 | 2020 |
| 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 | 91 | 2015 |
| 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 | 84 | 2001 |
| 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 | 79 | 2019 |
| 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 | 78 | 2009 |
| 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 | 77 | 2008 |
| 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 | 75 | 2016 |
| 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 | 67 | 2004 |
| 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 | 64 | 2019 |
| Vibrational stability and electronic structure of a B 80 fullerene T Baruah, MR Pederson, RR Zope Physical Review B 78 (4), 045408, 2008 | 63 | 2008 |
| Are hemispherical caps of boron–nitride nanotubes possible? RR Zope, BI Dunlap Chemical physics letters 386 (4-6), 403-407, 2004 | 60 | 2004 |
| Are hemispherical caps of boron–nitride nanotubes possible? RR Zope, BI Dunlap Chemical physics letters 386 (4-6), 403-407, 2004 | 60 | 2004 |
| Electronic structure of fullerenelike cages and finite nanotubes of aluminum nitride RR Zope, BI Dunlap Physical Review B 72 (4), 045439, 2005 | 59 | 2005 |
| Temperature dependence of the polarizability of sodium clusters SA Blundell, C Guet, RR Zope Physical review letters 84 (21), 4826, 2000 | 57 | 2000 |
| 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 | 55 | 2006 |
| 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 | 53 | 2012 |
| 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 | 47 | 2019 |
Tunna BaruahUTEPVerified email at utep.edu
