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Issue Date	Title	Author(s)
2017	Tetracyanobutadiene bridged ferrocene and triphenylamine functionalized pyrazabole dimers	Patil, Yuvraj; Misra, Rajneesh
2021	Computational insights into electrocatalytic CO2 reduction facilitated by Mn(I) half sandwich-based catalysts: Role of substitution and solvent	Mandal, Shyama Charan; Pathak, Biswarup
2016	C2-Symmetric ferrocenyl bisthiazoles: Synthesis, photophysical, electrochemical and DFT studies	Mobin, Shaikh M.; Misra, Rajneesh
2020	Electronic Transport through DNA Nucleotides in BC3Nanogap for Rapid DNA Sequencing	Kumawat, Rameshwar L.; Garg, Priyanka; Bhattacharyya, Gargee; Pathak, Biswarup
2022	Identification of novel efflux pump inhibitors for Neisseria gonorrhoeae via multiple ligand-based pharmacophores, e-pharmacophore, molecular docking, density functional theory, and molecular dynamics approaches	Jain, Neha; Sk, Md Fulbabu; Kar, Parimal; Kumar, Amit
2016	Photonic properties of star shaped ferrocenyl substituted triazines	Misra, Rajneesh
2022	Thermal Decomposition of Hydrated Graphite Oxide: A Computational Study	Surabhi, Pranav
2020	Mechanistic Insight for Targeting Biomolecules by Ruthenium(II) NSAID Complexes	Sonkar, Chanchal; Malviya, Novina; Ranjan, Rishi; Pakhira, Srimanta; Mukhopadhyay, Suman
2020	Prospects of black phosphorus nanoribbon for explosive sensing: A computational approach	Kumawat, Rameshwar L.; Pathak, Biswarup
2016	An atomically thin ferromagnetic half-metallic pyrazine-fused Mn-porphyrin sheet: A slow spin relaxation system	Kumar, Sourabh; Pathak, Biswarup