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114 Publications
31 Journals
Bhabani S. Mallik
Professor
Department of Chemistry
bhabani@chy.iith.ac.in (Work)
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Publications - 114
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Publications (114)
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Publications (114)
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Articles
Non-heme oxoiron complexes as active intermediates in the water oxidation process with hydrogen/oxygen atom transfer reactions
K.R. Gorantla
and
Bhabani S. Mallik
2022 | Royal Society of Chemistry
Articles
Recyclable Aliphatic Nitrile-Template Enabled Remote meta-C-H Functionalization at Room Temperature
P. Ramesh
,
C. Sreenivasulu
,
...
,
Bhabani S. Mallik
and
Satyanarayana Gedu
(7 authors)
2022 | American Chemical Society
Articles
Molecular Simulation-Guided Spectroscopy of Imidazolium-Based Ionic Liquids and Effects of Methylation on Ion-Cage and -Pair Dynamics
A. Biswas
and
Bhabani S. Mallik
2022 | American Chemical Society
Articles
Novel Heteroleptic Uranyl(VI) Complexes Incorporating Tetradentate and Bidentate Chelating Ligands: Deviation from the Oyl-U-Oyl Linearity
S. Sethi
,
R. Panigrahi
,
Bhabani S. Mallik
and
N. Behera
2022 | John Wiley and Sons Inc
Articles
Revisiting OD-stretching dynamics of methanol‑d4, ethanol-d6 and dilute HOD/H2O mixture with predefined potentials and wavelet transform spectra
A. Biswas
and
Bhabani S. Mallik
2022 | Elsevier B.V.
Articles
Multiple Ensembles of the Hydrogen-bonded Network in Ethylammonium Nitrate versus Water from Vibrational Spectral Dynamics of SCN− Probe
A. Biswas
and
Bhabani S. Mallik
2022 | John Wiley and Sons Inc
Articles
Catalytic Mechanism of Competing Proton Transfer Events from Water and Acetic Acid by [CoII(bpbH2)Cl2] for Water Splitting Processes
K.R. Gorantla
and
Bhabani S. Mallik
2022 | American Chemical Society
Articles
Surface-chemistry-driven water dissociation on cobalt-based graphene hybrid from molecular dynamics simulations
K.R. Gorantla
and
Bhabani S. Mallik
2022 | Royal Society of Chemistry
Articles
Insignificant Effect of Temperature on the Structure and Angular Jumps of Water near a Hydrophobic Cation
A. Priyadarsini
and
Bhabani S. Mallik
2021 | American Chemical Society
Articles
Solvent-Assisted Li-Ion Transport and Structural Heterogeneity in Fluorinated Battery Electrolytes
T.D.N. Reddy
and
Bhabani S. Mallik
2021 | American Chemical Society
Articles
Understanding the role of fluorination in the mechanistic nature of the water splitting process catalyzed by cobalt tris-(2-pyridylmethyl)amine complexes
K.R. Gorantla
and
Bhabani S. Mallik
2021 | Royal Society of Chemistry
Articles
Amphiphilicity of Intricate Layered Graphene/g-C3N4Nanosheets
A. Priyadarsini
and
Bhabani S. Mallik
2021 | American Chemical Society
Articles
Dynamics of Ionic Liquid through Intrinsic Vibrational Probes Using the Dispersion-Corrected DFT Functionals
A. Biswas
and
Bhabani S. Mallik
2021 | American Chemical Society
Articles
Conformation-induced vibrational spectral dynamics of hydrogen peroxide and vicinal water molecules
A. Biswas
and
Bhabani S. Mallik
2021 | Royal Society of Chemistry
Articles
Aqueous Affinity and Interfacial Dynamics of Anisotropic Buckled Black Phosphorous
A. Priyadarsini
and
Bhabani S. Mallik
2021 | American Chemical Society
Articles
Effects of Doped N, B, P, and S Atoms on Graphene toward Oxygen Evolution Reactions
A. Priyadarsini
and
Bhabani S. Mallik
2021 | American Chemical Society
Articles
Mechanism and Electronic Perspective of Oxygen Evolution Reactions Catalyzed by [Fe(OTf)2(bpbp)]
K.R. Gorantla
and
Bhabani S. Mallik
2021 | American Chemical Society
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Articles
Mechanistic Insight into the O2Evolution Catalyzed by Copper Complexes with Tetra- And Pentadentate Ligands
K.R. Gorantla
and
Bhabani S. Mallik
2021 | American Chemical Society
Articles
Structure and transport of solvent ligated octahedral mg-ion in an aqueous battery electrolyte
Bhabani S. Mallik
and
T.R. Kartha
2021 | American Chemical Society
Articles
Comparative first principles-based molecular dynamics study of catalytic mechanism and reaction energetics of water oxidation reaction on 2D-surface
A. Priyadarsini
and
Bhabani S. Mallik
2021 | John Wiley and Sons Inc
Showing 21-40 of 114 results
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