Putting DFT to the Test: A First-Principles Study of Electronic, Magnetic, and Optical Properties of Co3 O4 V Singh, M Kosa, K Majhi, DT Major
Journal of Chemical Theory and Computation 11 (1), 64-72, 2015
90 2015 Electronic Structure and Bonding in Co-Based Single and Mixed Valence Oxides: A Quantum Chemical Perspective V Singh, DT Major
Inorganic Chemistry, 2016
36 2016 Anomalous magnetotransport behavior in Fe-doped MnNiGe alloys P Dutta, S Pramanick, V Singh, DT Major, D Das, S Chatterjee
Physical Review B 93 (13), 134408, 2016
26 2016 Magnetism in Olivine-type LiCo1-xFexPO4 Cathode Materials: Bridging Theory and Experiment V Singh, Y Gershinsky, M Kosa, M Dixit, D Zitoun, DT Major
PCCP, 2015
19 2015 A Combined Computational and Experimental Investigation of Mg Doped α-Fe2O3 M Kosa, HN Barad, V Singh, DA Keller, K Shimanovich, S Ruhle, ...
A Combined Computational and Experimental Investigation of Mg Doped α-Fe2O3, 2015
18 2015 Magnetic behavior of Ba3Cu3Sc4O12 B Koteswararao, AV Mahajan, F Bert, P Mendels, J Chakraborty, V Singh, ...
Journal of Physics: Condensed Matter 24 (23), 236001, 2012
17 2012 Identification of Highly Promising Anti-Oxidants / Neuroprotectants Based on Nucleoside 5'-Phosphorothioate Scaffold. Synthesis, Activity, and Mechanisms of Action S Azran, O Danino, D Förster, S Kenigsberg, G Reiser, M Dixit, V Singh, ...
Journal of Medicinal Chemistry, 2015
14 2015 Atomic-scale chemical fluctuation in LaSrVMoO 6, a proposed half-metallic antiferromagnet S Jana, V Singh, SD Kaushik, C Meneghini, P Pal, R Knut, O Karis, ...
Physical Review B 82 (18), 180407, 2010
14 2010 Magnetic properties of Ni2+ xMn1-xIn Heusler alloys: Theory and experiment S Chatterjee, VR Singh, AK Deb, S Giri, SK De, I Dasgupta, S Majumdar
Journal of magnetism and magnetic materials 322 (1), 102-107, 2010
14 2010 A theoretical and experimental study of magnetism in Gd2 In V Singh, A Bhattacharyya, S Majumdar, I Dasgupta
Journal of Applied Physics 111 (5), 053709, 2012
12 2012 Is it True That the Normal Valence-Length Correlation Is Irrelevant for Metal-Metal Bonds? V Singh, M Dixit, M Kosa, DT Major, E Levi, D Aurbach
CHEMISTRY - A EUROPEAN JOURNAL ·, 2016
11 2016 Probing the electronic structure of hybrid perovskites in the orientationally disordered cubic phase P Nandi, SK Pandey, C Giri, V Singh, L Petaccia, U Manju, SD Mahanti, ...
The Journal of Physical Chemistry Letters 11 (14), 5719-5727, 2020
10 2020 Electronic structure of Na2CuP2O7: a nearly 2D Heisenberg antiferromagnetic system S Salunke, VR Singh, AV Mahajan, I Dasgupta
Journal of Physics: Condensed Matter 21 (2), 025603, 2008
9 2008 Oxygen vacancy induced site-selective Mott transition in X Liao, V Singh, H Park
Physical Review B 103 (8), 085110, 2021
8 2021 LaSrVMoO 6: A case study for A-site covalency-driven local cationic order in double perovskites S Jana, V Singh, A Nag, C Meneghini, I Dasgupta, G Aquilanti, S Ray
Physical Review B 86 (1), 014203, 2012
7 2012 Electron-Hybridization-Induced Enhancement of Photoactivity in Indium-Doped Co3 O4 K Majhi, V Singh, KJ Rietwyk, DA Keller, HN Barad, A Ginsburg, Z Yan, ...
The Journal of Physical Chemistry C 120 (51), 28983-28991, 2016
4 2016 Structural and magnetic investigations on Cu-doped MnV2O6 compound: experiment and theory SC N.Khamarum, S.De, A.Das, Vijay Singh, Dan Thomas Major, P.Dasgupta, D.Das
JMMM, 2019
3 * 2019 Nuclear Quantum Effects in Enzymatic Reactions DANT MAJOR, R EITAN, S DAS, A MHASHAL, V SINGH
Simulating Enzyme Reactivity: Computational Methods in Enzyme Catalysis, 340, 2017
3 2017 Topologically nontrivial phase in teh hexagonal antiperovskites A3BiB ( A =Ba,Sr; B =P,N) AA C. K. Barman, Chiranjit Mondal, Vijay Singh, Biswarup Pathak
Phys. Rev. B 98, 245149, 2018
2 * 2018 Magnetic Order and Lattice Instabilities in Ni V Singh, A van Roekeghem, SK Panda, S Majumdar, N Mingo, I Dasgupta
arXiv preprint arXiv:1811.04221, 2018
1 2018 
Dan Thomas MajorProfessor of Chemistry, Bar-Ilan UniversityVerified email at biu.ac.il
