Putting DFT to the Test: A First-Principles Study of Electronic, Magnetic, and Optical Properties of Co3O4 V Singh, M Kosa, K Majhi, DT Major Journal of chemical theory and computation 11 (1), 64-72, 2015 | 116 | 2015 |
Electronic Structure and Bonding in Co-Based Single and Mixed Valence Oxides: A Quantum Chemical Perspective V Singh, DT Major Inorganic Chemistry, 2016 | 44 | 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 | 31 | 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 | 20 | 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 | 19 | 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 | 18 | 2012 |
Oxygen vacancy induced site-selective Mott transition in X Liao, V Singh, H Park Physical Review B 103 (8), 085110, 2021 | 17 | 2021 |
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 | 16 | 2015 |
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 | 15 | 2010 |
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 | 14 | 2020 |
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 |
A theoretical and experimental study of magnetism in Gd2In V Singh, A Bhattacharyya, S Majumdar, I Dasgupta Journal of Applied Physics 111 (5), 2012 | 13 | 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 |
Atomically precise control of rotational dynamics in charged rare-earth complexes on a metal surface SWH Tolulope Michael Ajayi, Vijay Singh, Kyaw Zin Latt, Sanjoy Sarkar ... Nature Communications 13, 6305, 2022 | 10 | 2022 |
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 |
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 |
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 | 4* | 2018 |
Electron-Hybridization-Induced Enhancement of Photoactivity in Indium-Doped Co3O4 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 |