Prof Bhabani Shankar Mallik
vidwan id: 62216
Professor, Department of Chemistry
Indian Institute of Technology Hyderabad
Expertise
- Multidisciplinary Chemistry
Publications
Publications
No publication activity to display at the moment.
Scopus
h-index
22
CrossRef
Citations
1286
h-index
19
Google Scholar
Loading Scholar statistics...
Professional Recognition
No Data Found
There is currently nothing to display here.
Community & Membership
No Data Found
There is currently nothing to display here.
Orissa Chemical Society (OCS)
Chemical Research Society of India (CRSI)
Bio
Computational and Theoretical Chemistry
Personal Details
- Male
- Professor , Indian Institute of Technology Hyderabad
- Indian Institute of Technology Hyderabad, Kandi
No Data Found
There is currently nothing to display here.
Related Profiles
Experts (2810+)
View All
Vice Principal
Research Scholar
Assistant Professor
Assistant Professor
Assistant Professor
Research Fellow
Assistant Professor
Associate Professor
Assistant Professor
Assistant Professor
Organisations (342+)
View All
Director
Professor
Associate Professor
Associate Professor
Professor
Associate Professor
Assistant Professor (Grade-I)
Associate Professor
Professor
Professor
Co-Authors (24)
Indian Institute of Technology Kanpur
Koneru Lakshmaiah Education Foundation, Guntur
Indian Institute of Technology (BHU), Varanasi
Veer Surendra Sai University of Technology
National Institute of Technology Rourkela
National Institute of Technology Karnataka
Pondicherry University
Indian Institute of Technology Hyderabad
Indian Institute of Technology (Indian School of Mines), Dhanbad
National Forensic Sciences University
Indian Institute of Technology Bombay
Berhampur University
S R M Institute of Science & Technology, Chennai
Indian Institute of Technology Hyderabad
Sambalpur University
PARUL INSTITUTE OF APPLIED SCIENCES
Berhampur University
Vignan's Foundation of Science, Technology & Research, Guntur
Indian Institute of Science Bangalore
S.V. National Institute of Technology
Indian Institute of Technology (Indian School of Mines), Dhanbad
Christ University
Indian Institute of Technology Guwahati
Indian Institute of Technology Hyderabad
Scholarly Work
No Data Found
There is currently nothing to display here.
Computational Studies of ions and neutral molecules in water
Computer Simulations of Structure and Dynamics of Ionic Liquids and their Mixtures with Molecular Solvents Publications
Ionic Liquids as Alternative Solvents to Assess the Structure and Dynamics of Bio-relevant Molecules from Advanced Sampling Methods
Structure and ion transport in electrolytes for energy storage devices from classical molecular dynamics simulations
First Principles Molecular Dynamics Studies of Mechanistic Insights into the Catalytic Oxygen Evolution Reactions
No Data Found
There is currently nothing to display here.
Scholarly Publications
Surface-chemistry-driven water dissociation on cobalt-based graphene hybrid from molecular dynamics simulations
Open AccessMechanistic Insights into Cobalt-Based Water Oxidation Catalysis by DFT-Based Molecular Dynamics Simulations
Open AccessNovel Heteroleptic Uranyl(VI) Complexes Incorporating Tetradentate and Bidentate Chelating Ligands: Deviation from the Oyl-U-Oyl Linearity
Open AccessIonic Dynamics and Vibrational Spectral Diffusion of a Protic Alkylammonium Ionic Salt through Intrinsic Cationic N-H Vibrational Probe from FPMD Simulations
Open AccessNon-heme oxoiron complexes as active intermediates in the water oxidation process with hydrogen/oxygen atom transfer reactions
Open AccessComparative first principles-based molecular dynamics study of catalytic mechanism and reaction energetics of water oxidation reaction on 2D-surface
Open AccessConformation-induced vibrational spectral dynamics of hydrogen peroxide and vicinal water molecules
Open Access
10.1039/d0cp06028c
9
12