Bhalchandra Pujari
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Single-side-hydrogenated graphene: Density functional theory predictions
BS Pujari, S Gusarov, M Brett, A Kovalenko
Physical Review B 84 (4), 041402, 2011
A systematic study of electronic structure from graphene to graphane
P Chandrachud, BS Pujari, S Haldar, B Sanyal, DG Kanhere
Journal of Physics: Condensed Matter 22, 465502, 2010
Efficient treatment of solvation shells in 3D molecular theory of solvation
S Gusarov, BS Pujari, A Kovalenko
Journal of Computational Chemistry 33 (17), 1478-1494, 2012
Multi-city modeling of epidemics using spatial networks: Application to 2019-nCov (COVID-19) coronavirus in India
BS Pujari, S Shekatkar
Medrxiv, 2020.03. 13.20035386, 2020
Density Functional Investigations of Defect-Induced Mid-Gap States in Graphane
BS Pujari, DG Kanhere
The Journal of Physical Chemistry C 113 (50), 21063-21067, 2009
Deviations from Matthiessen's rule and resistivity saturation effects in Gd and Fe from first principles
JK Glasbrenner, BS Pujari, KD Belashchenko
Physical Review B 89 (17), 174408, 2014
The INDSCI-SIM model for COVID-19 in India
DK Hazra, BS Pujari, SM Shekatkar, F Mozaffer, S Sinha, V Guttal, ...
medRxiv, 2021.06. 02.21258203, 2021
Fe n (n= 1–6) clusters chemisorbed on vacancy defects in graphene: Stability, spin-dipole moment, and magnetic anisotropy
S Haldar, BS Pujari, S Bhandary, F Cossu, O Eriksson, DG Kanhere, ...
Physical Review B 89 (20), 205411, 2014
Electronic structure of spherical quantum dots using coupled cluster method
I Heidari, S Pal, BS Pujari, DG Kanhere
The Journal of chemical physics 127, 114708, 2007
A comprehensive study of pressure dependent phase transitions in ferroelectric PbTiO3, PbZrO3 and BaTiO3
N Jaykhedkar, N Tripathy, V Shah, B Pujari, S Premkumar
Materials Chemistry and Physics 254, 123545, 2020
Proton conduction in a hydrogen-bonded complex of copper (ii)-bipyridine glycoluril nitrate
SB Tayade, VM Dhavale, AS Kumbhar, S Kurungot, P Lönnecke, ...
Dalton Transactions 46 (21), 6968-6974, 2017
Impurity effects on the electronic structure of square quantum dots: A full configuration-interaction study
BS Pujari, K Joshi, DG Kanhere, SA Blundell
Physical Review B 78 (12), 125414, 2008
SixC1-xO2 alloys: A possible route to stabilize carbon-based silica-like solids?
A Aravindh, A Arkundato, S Barman, S Baroni, BL Bhargava, ...
Solid State Communications 144 (7-8), 273-276, 2007
Ab Initio Construction of Magnetic Phase Diagrams in Alloys: The Case of Fe<sub>1−x</sub>Mn<sub>x</sub>Pt
BS Pujari, P Larson, VP Antropov, KD Belashchenko
Physical Review Letters 115 (5), 057203, 2015
Association of national and regional lockdowns with COVID-19 infection rates in Pune, India
V Mave, A Shaikh, JM Monteiro, P Bogam, BS Pujari, N Gupte
Scientific reports 12 (1), 10446, 2022
Achieving synergistic performance through highly compacted microcrystalline rods induced in Mo doped GeTe based compounds
S Imam, KS Bayikadi, M Ubaid, VK Ranganayakulu, S Devi, BS Pujari, ...
Materials Today Physics 22, 100571, 2022
Electronic structure of many-electron square-well quantum dots with and without an attractive impurity: Spin-density-functional theory
B Pujari, K Joshi, DG Kanhere, SA Blundell
Physical Review B 76 (8), 085340, 2007
Two-dimensional C 3 N/blue phosphorene vdW heterostructure for Li, Na and K-ion batteries
M Ubaid, A Aziz, BS Pujari
New Journal of Chemistry 45 (28), 12647-12654, 2021
Spectral signatures of thermal spin disorder and excess Mn in half-metallic NiMnSb
KD Belashchenko, J Weerasinghe, S Mu, BS Pujari
Physical Review B 91 (18), 180408, 2015
Theoretical investigation of planar square carbon allotrope and its hydrogenation
BS Pujari, A Tokarev, DA Saraf
Journal of Physics: Condensed Matter 24 (17), 175501, 2012
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Articles 1–20