Vijay Singh
Titolo
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Citata da
Anno
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
612015
Electronic Structure and Bonding in Co-Based Single and Mixed Valence Oxides: A Quantum Chemical Perspective
V Singh, DT Major
Inorganic Chemistry, 2016
302016
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
222016
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
172015
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
162012
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
152015
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
142010
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
112015
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
102016
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
92010
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
92008
A theoretical and experimental study of magnetism in Gd2In
V Singh, A Bhattacharyya, S Majumdar, I Dasgupta
Journal of Applied Physics 111 (5), 053709, 2012
82012
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
62012
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
42020
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
32017
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
32016
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
1*2018
Magneto-structural transitions: molecular dynamics simulations of a united-atom, mesoscopic model
J Bhattacharya, V Singh, S Sengupta, I Dasgupta
Modern Physics Letters B 27 (07), 1350047, 2013
12013
Oxygen vacancy induced site-selective Mott transition in
X Liao, V Singh, H Park
Physical Review B 103 (8), 085110, 2021
2021
DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages
Vijay Singh, Uthpala Herath, Benny Wah, Xingyu Liao, Aldo H. Romero, Hyowon Park
https://arxiv.org/pdf/2002.00068, 2020
2020
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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