| Deciphering the role of solvents in the liquid phase exfoliation of hexagonal boron nitride: A molecular dynamics simulation study TK Mukhopadhyay, A Datta the Journal of Physical Chemistry C 121 (1), 811-822, 2017 | 78 | 2017 |
| Ordering and dynamics for the formation of two-dimensional molecular crystals on black phosphorene TK Mukhopadhyay, A Datta The Journal of Physical Chemistry C 121 (18), 10210-10223, 2017 | 47 | 2017 |
| Gauging the Nanotoxicity of h2D-C2N toward Single-Stranded DNA: An in Silico Molecular Simulation Approach TK Mukhopadhyay, K Bhattacharyya, A Datta ACS applied materials & interfaces 10 (16), 13805-13818, 2018 | 42 | 2018 |
| Molecular mechanism for the self-supported synthesis of graphitic carbon nitride from urea pyrolysis TK Mukhopadhyay, L Leherte, A Datta The Journal of Physical Chemistry Letters 12 (5), 1396-1406, 2021 | 32 | 2021 |
| Design rules for the generation of stable quartet phases of nucleobases over two-dimensional materials TK Mukhopadhyay, A Datta The Journal of Physical Chemistry C 122 (50), 28918-28933, 2018 | 27 | 2018 |
| Screening two dimensional materials for the transportation and delivery of diverse genetic materials TK Mukhopadhyay, A Datta Nanoscale 12 (2), 703-719, 2020 | 23 | 2020 |
| Disentangling the Liquid Phase Exfoliation of Two-dimensional Materials: An “in-silico” Perspective TK Mukhopadhyay, A Datta Physical Chemistry Chemical Physics, 2020 | 22 | 2020 |
| Influence of Hofmeister I– on Tuning Optoelectronic Properties of Ampholytic Polythiophene by Varying pH and Conjugating with RNA R Ghosh, DP Chatterjee, S Das, TK Mukhopadhyay, A Datta, AK Nandi Langmuir 33 (44), 12739-12749, 2017 | 20 | 2017 |
| Molecular dynamics simulations reveal orientation-dependent nanotoxicity of black phosphorene toward dimeric proteins TK Mukhopadhyay, A Ghosh, A Datta ACS Applied Nano Materials 4 (3), 3095-3107, 2021 | 17 | 2021 |
| Hierarchical noncovalent interactions between molecules stabilize multicomponent cocrystals S Mandal, TK Mukhopadhyay, N Mandal, A Datta Crystal Growth & Design 19 (8), 4802-4809, 2019 | 16 | 2019 |
| Controlling electronic effects and intermolecular packing in contorted polyaromatic hydrocarbons (c-PAHs): towards high mobility field effect transistors K Bhattacharyya, TK Mukhopadhyay, A Datta Physical Chemistry Chemical Physics 18 (22), 14886-14893, 2016 | 15 | 2016 |
| Delicate Balance of Non‐Covalent Forces Govern the Biocompatibility of Graphitic Carbon Nitride towards Genetic Materials TK Mukhopadhyay, A Datta ChemPhysChem 21 (16), 1836-1846, 2020 | 14 | 2020 |
| Exploring the effect of hydroxylic and non-hydroxylic solvents on the reaction of [V IV O (β-diketonate) 2] with 2-aminobenzoylhydrazide in aerobic and anaerobic conditions N Biswas, D Patra, B Mondal, S Bera, S Acharyya, AK Biswas, ... Dalton Transactions 46 (33), 10963-10985, 2017 | 11 | 2017 |
| Synthesis, characterization, and cytotoxic and antimicrobial activities of mixed-ligand hydrazone complexes of variable valence VO z+ (z= 2, 3) N Biswas, S Bera, N Sepay, TK Mukhopadhyay, K Acharya, S Ghosh, ... New Journal of Chemistry 43 (42), 16714-16729, 2019 | 10 | 2019 |
| Two dimensional materials are non-nanotoxic and biocompatible towards cyclotides: evidence from classical molecular dynamics simulations A Ghosh, TK Mukhopadhyay, A Datta Nanoscale 15 (1), 321-336, 2023 | 9 | 2023 |
| Exfoliation and dispersion of 2D materials in polar solvents: A molecular simulation approach TK Mukhopadhyay, A Datta J. Ind. Chem. Soc 96, 753-766, 2019 | 9 | 2019 |
| Harnessing noncovalent interactions for a directed evolution of a six-component molecular crystal S Mandal, AK Pal, N Mandal, TK Mukhopadhyay, A Datta The Journal of Physical Chemistry B 125 (45), 12584-12591, 2021 | 8 | 2021 |
| Supramolecular Barrel‐Rosette Ion Channel Based on 3, 5‐Diaminobenzoic Acid for Cation‐Anion Symport S Chattopadhayay, A Ghosh, T Kumar Mukhopadhyay, R Sharma, A Datta, ... Angewandte Chemie 135 (46), e202313712, 2023 | 7 | 2023 |
| In silico investigation on the selective nanotoxicity of two-dimensional materials to hen egg white lysozyme protein S Paul, TK Mukhopadhyay, S Paul ACS Applied Nano Materials 6 (8), 6504-6517, 2023 | 7 | 2023 |
| Substituent effect of benzyl moiety in nitroquinoxaline small molecules upon DNA binding: Cumulative destacking of DNA nucleobases leading to histone eviction R Pal, J Chakraborty, TK Mukhopadhyay, A Kanungo, R Saha, ... European Journal of Medicinal Chemistry 229, 113995, 2022 | 5 | 2022 |
Ayan DattaProfessor, School of Chemical Sciences, IACSEmail verificata su iacs.res.in