B. Moses Abraham
B. Moses Abraham
Department of Chemical Engineering, IIT Kanpur
Verified email at iitk.ac.in
Title
Cited by
Cited by
Year
A comparative study of structure, stability and energetic performance of 5, 5′-bitetrazole-1, 1′-diolate based energetic ionic salts: future high energy density materials
BM Abraham, GV Dasharath, G Vaitheeswaran
Physical Chemistry Chemical Physics 20 (47), 29693-29707, 2018
192018
High-Pressure Studies of Hydrogen-Bonded Energetic Material 3,6-Dihydrazino-s-tetrazine Using DFT
B Moses Abraham, J Prathap Kumar, G Vaitheeswaran
ACS omega 3 (8), 9388-9399, 2018
122018
Microscopic origin of pressure-induced phase-transitions in urea: A detailed investigation through first principles calculations
BM Abraham, B Adivaiah, G Vaitheeswaran
Physical Chemistry Chemical Physics 21 (2), 884-900, 2019
82019
From van der Waals interactions to structures and properties of 3, 3′-dinitro-5, 5′-bis-1, 2, 4-triazole-1, 1′-diolate based energetic materials
BM Abraham, G Vaitheeswaran
Materials Chemistry and Physics 240, 122175, 2020
72020
Structural, vibrational and bonding properties of hydro-nitrogen solids under high pressure: An ab-initio study
G Vaitheeswaran, N Yedukondalu, BM Abraham
Journal of Chemical Sciences 128 (10), 1631-1639, 2016
62016
Adsorption behavior of explosive molecules on g-C3N4 nanostructure: A novel approach for sensing energetic materials
BM Abraham
Journal of Physics and Chemistry of Solids 149, 109777, 2021
32021
High-pressure structural and electronic properties of potassium-based green primary explosives
BM Abraham, N Yedukondalu, G Vaitheeswaran
Journal of Electronic Materials 50 (4), 1581-1590, 2021
22021
First principles study of pressure induced polymorphic phase transition in trimethylamine
BM Abraham, G Vaitheeswaran
AIP Conference Proceedings 1942 (1), 030006, 2018
22018
Adsorption of cyanogen halides (X-CN; X= F, Cl and Br) on pristine and Fe, Mn doped C60: A highly potential gas sensor
BM Abraham
Materials Today Communications 26, 101901, 2021
12021
Electronic properties and Hirshfeld surface analysis of dihydroxylammonium 5, 5′-bistetrazole-1, 1′-diolate under pressure
BM Abraham, G Vaitheeswaran
Materials Today: Proceedings 24, 683-689, 2020
12020
Structural and electronic properties of 5, 5′-Hydrazinebistetrazole under high pressure: A DFT study
BM Abraham, G Vaitheeswaran
IOP Conference Series: Materials Science and Engineering 377 (1), 012107, 2018
12018
Structural, electronic and lattice dynamical properties of perovskite CaZrO3 under high pressure
BM Abraham, N Yedukondalu, G Vaitheeswaran
AIP Conference Proceedings 1832 (1), 090042, 2017
12017
Insight into the mechanism of nanoparticle induced suppression of interfacial tension
S Tiwari, BM Abraham, JK Singh
Journal of Molecular Liquids 339, 117177, 2021
2021
Constructing Cu/BN@ PANI ternary heterostructure for efficient photocatalytic hydrogen generation: A combined experimental and DFT studies
S Sk, A Tiwari, BM Abraham, N Manwar, V Perupogu, U Pal
International Journal of Hydrogen Energy 46 (54), 27394-27408, 2021
2021
High-Throughput Screening of Atomic Defects in MXenes for CO2 Capture, Activation, and Dissociation
BM Abraham#, V Parey# (#Equal contribution), SH Mir, JK Singh
ACS Applied Materials & Interfaces, 2021
2021
Hot injection induced synthesis of ZnCdS-rGO/MoS2 heterostructures for efficient hydrogen production and CO2 photoreduction
A Gautam, S Sk, A Tiwari, BM Abraham, P Vijayanand, U Pal
Chemical Communications, 2021
2021
Synthesis of sub-nanometric Cu 2 O catalysts for Pd-free C–C coupling reactions
A Agrawal, R Goyal, BM Abraham, O Singh, S Tripathi, MK Poddar, R Bal, ...
Reaction Chemistry & Engineering 6 (5), 929-936, 2021
2021
High pressure structural behaviour of 5, 5′-bitetrazole-1, 1′-diolate based energetic materials: a comparative study from first principles calculations
BM Abraham
RSC Advances 10 (42), 24867-24876, 2020
2020
Computational Study of Hydrogen Bonded Energetic Materials
BM Abraham, G Vaitheeswaran
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Articles 1–19