| Noncovalent interaction assisted fullerene for the transportation of some brain anticancer drugs: a theoretical study PN Samanta, KK Das Journal of Molecular Graphics and Modelling 72, 187-200, 2017 | 49 | 2017 |
| Imidazolium-based ionic liquids with different fatty acid anions: phase behavior, electronic structure and ionic conductivity investigation M Biswas, M Dule, PN Samanta, S Ghosh, TK Mandal Physical Chemistry Chemical Physics 16 (30), 16255-16263, 2014 | 39 | 2014 |
| First-principles approach for assessing cold electron injection efficiency of dye-sensitized solar cell: Elucidation of mechanism of charge injection and recombination PN Samanta, D Majumdar, S Roszak, J Leszczynski The Journal of Physical Chemistry C 124 (5), 2817-2836, 2020 | 26 | 2020 |
| Air oxygenation chemistry of 4-TBC catalyzed by chloro bridged dinuclear copper (II) complexes of pyrazole based tridentate ligands: synthesis, structure, magnetic and … I Banerjee, PN Samanta, KK Das, R Ababei, M Kalisz, A Girard, ... Dalton Transactions 42 (5), 1879-1892, 2013 | 25 | 2013 |
| Electronic structure, bonding, and properties of SnmGen (m+ n⩽ 5) clusters: A DFT study PN Samanta, KK Das Computational and Theoretical Chemistry 980, 123-132, 2012 | 25 | 2012 |
| Adsorption sensitivity of zigzag GeC nanotube towards N2, CO, SO2, HCN, NH3, and H2CO molecules PN Samanta, KK Das Chemical Physics Letters 577, 107-113, 2013 | 22 | 2013 |
| Prediction of binding modes and affinities of 4-substituted-2, 3, 5, 6-tetrafluorobenzenesulfonamide inhibitors to the carbonic anhydrase receptor by docking and ONIOM calculations PN Samanta, KK Das Journal of Molecular Graphics and Modelling 63, 38-48, 2016 | 21 | 2016 |
| Negative thermal quenching of photoluminescence in a copper–organic framework emitter T Wu, S Jiang, PN Samanta, Y Xie, J Li, X Wang, M Devashis, X Gu, ... Chemical Communications 56 (80), 12057-12060, 2020 | 20 | 2020 |
| Enhanced perovskite solar cell performance via 2-amino-5-iodobenzoic acid passivation J Xiong, PN Samanta, Y Qi, T Demeritte, K Williams, J Leszczynski, Q Dai ACS Applied Materials & Interfaces 14 (4), 5414-5424, 2022 | 18 | 2022 |
| Electron transport properties of zigzag single walled tin carbide nanotubes PN Samanta, KK Das Computational materials science 81, 326-331, 2014 | 18 | 2014 |
| 5-Aminolevulinic acid functionalized boron-nitride and carbon nanotubes as drug delivery vehicles for skin anticancer drugs: a theoretical study PN Samanta, KK Das RSC advances 6 (95), 92547-92559, 2016 | 14 | 2016 |
| Recent advances of in-silico modeling of potent antagonists for the adenosine receptors PN Samanta, S Kar, J Leszczynski Current Pharmaceutical Design 25 (7), 750-773, 2019 | 13 | 2019 |
| Inhibition activities of catechol diether based non-nucleoside inhibitors against the HIV reverse transcriptase variants: Insights from molecular docking and ONIOM calculations PN Samanta, KK Das Journal of Molecular Graphics and Modelling 75, 294-305, 2017 | 12 | 2017 |
| Adsorption of CO on pure and mixed clusters of tin and germanium up to five atoms: A theoretical study PN Samanta, KK Das Computational and Theoretical Chemistry 1000, 42-51, 2012 | 12 | 2012 |
| Chirality dependence of electron transport properties of single-walled GeC nanotubes PN Samanta, KK Das The Journal of Physical Chemistry C 117 (1), 515-521, 2013 | 11 | 2013 |
| QM/MM study of the interaction between zigzag S n C nanotube and small toxic gas molecules PN Samanta, KK Das International Journal of Quantum Chemistry 116 (6), 411-420, 2016 | 8 | 2016 |
| Structural and electronic properties of covalently functionalized 2-aminoethoxy-metallophthalocyanine–graphene hybrid materials: a computational study PN Samanta, KK Das RSC advances 5 (104), 85730-85740, 2015 | 8 | 2015 |
| Adsorption of CO, SO 2, HCN, NH 3, and H 2 CO on zigzag GaP nanotubes: a QM/MM study PN Samanta, KK Das RSC Advances 4 (103), 59056-59063, 2014 | 7 | 2014 |
| First-principles modeling of complexation of anticancer antibiotics with fullerene (C60) nanocage: Probing non-covalent interactions by vibrational and electronic spectroscopy R Neal, PN Samanta, J Leszczynski Journal of Molecular Structure 1255, 132449, 2022 | 6 | 2022 |
| Ultrahigh Capacitive Energy Density in Stratified 2D Nanofiller-Based Polymer Dielectric Films M Singh, P Das, PN Samanta, S Bera, R Thantirige, BC Shook, R Nejat, ... ACS Nano 17 (20), 20262–20272, 2023 | 4 | 2023 |
Prof. Kalyan Kumar DasJadavpur UniversityVerified email at chemistry.jdvu.ac.in
