| Thermochromic and Mechanochromic Luminescence Umpolung in Isostructural Metal–Organic Frameworks Based on Cu6I6 Clusters MS Deshmukh, A Yadav, R Pant, R Boomishankar Inorganic Chemistry 54 (4), 1337-1345, 2015 | 152 | 2015 |
| Synthesis, characterization, and luminescence studies of gold (I) complexes with PNP-and PNB-based ligand systems S Pal, N Kathewad, R Pant, S Khan Inorganic Chemistry 54 (21), 10172-10183, 2015 | 36 | 2015 |
| Atomistic simulation study of the hydrated structure and transport dynamics of a novel multi acid side chain polyelectrolyte membrane S Sengupta, R Pant, P Komarov, A Venkatnathan, AV Lyulin International Journal of Hydrogen Energy 42 (44), 27254-27268, 2017 | 27 | 2017 |
| Nanostructure and dynamics of humidified nafion/graphene-oxide composites via molecular dynamics simulations G Kritikos, R Pant, S Sengupta, K Karatasos, A Venkatnathan, AV Lyulin The Journal of Physical Chemistry C 122 (40), 22864-22875, 2018 | 16 | 2018 |
| Computational investigation of a protic ionic liquid doped poly-benzimidazole fuel cell electrolyte R Pant, S Sengupta, AV Lyulin, A Venkatnathan Journal of Molecular Liquids 314, 113686, 2020 | 9 | 2020 |
| Quantum mechanical investigation of proton transport in imidazolium methanesulfonate ionic liquid R Pant, M Kumar, A Venkatnathan The Journal of Physical Chemistry C 121 (13), 7069-7080, 2017 | 7 | 2017 |
| Pair Natural Orbital Equation-of-Motion Coupled-Cluster Method for Core Binding Energies: Theory, Implementation, and Benchmark R Pant, S Ranga, A Bachhar, AK Dutta Journal of Chemical Theory and Computation 18 (8), 4660-4673, 2022 | 3 | 2022 |
| Multiscale Modeling Examples: New Polyelectrolyte Nanocomposite Membranes for Perspective Fuel Cells and Flow Batteries S Sengupta, AV Lyulin, G Kritikos, K Karatasos, A Venkatnathan, R Pant, ... Theory and Modeling of Polymer Nanocomposites, 133-177, 2021 | 2 | 2021 |
| Novel polyelectrolyte membranes for fuel and flow batteries: Insights from simulations S Sengupta, G Kritikos, K Karatasos, A Venkatnathan, R Pant, P Komarov, ... AIP Conference Proceedings 1981 (1), 020004, 2018 | 2 | 2018 |
| Ultrafast Proton Transfer Reaction in Phenol–(Ammonia) n Clusters: An Ab-Initio Molecular Dynamics Investigation. R Pant, RK Singh, GN Patwari | 1 | 2021 |
| Isolation of a telluroxane cluster [(R2TeO)(μ-TeO2)(OTeR2)][TeO (OH) 2](R= C6H5NNC6H4) stabilized by intra-and intermolecular secondary bonding interactions: Molecular and … R Deka, R Pant, A Gupta, GN Patwari, HB Singh, RJ Butcher Polyhedron 198, 115037, 2021 | 1 | 2021 |
| Charge delocalization effects on Nafion structure and water/proton dynamics in hydrated environments R Pant, S Sengupta, AV Lyulin, A Venkatnathan Fluid Phase Equilibria 504, 112340, 2020 | 1 | 2020 |
| Charge delocalization effects on Nafion structure and water/proton dynamics in hydrated environments S Sengupta, A Lyulin, R PANT, A VENKATNATHAN Elsevier BV, 2020 | | 2020 |
| Computational investigation of a protic ionic liquid doped poly-benzimidazole fuel cell electrolyte S Sengupta, R PANT, AV Lyulin, A VENKATNATHAN Elsevier BV, 2020 | | 2020 |
| Insights into the Water Cluster Morphology and Transport in a Novel Multi-Acid and Nanocomposite Polyelectrolyte Membranes using Classical Molecular Dynamics Simulations S Sengupta, R Pant, A Venkatnathan, A Lyulin APS March Meeting Abstracts 2018, V56. 008, 2018 | | 2018 |
| Novel polyelectrolyte membranes for fuel and flow batteries: Insights from simulations R PANT, AV Lyulin, G Kritikos, S Sengupta, K Karatasos, P Komarov, ... AIP Publishing, 2018 | | 2018 |
| Atomistic simulation study of the hydrated structure and transport dynamics of a novel multi acid side chain polyelectrolyte membrane R Pant, A V Lyulina, S Sengupta, P Komarov, A VENKATNATHAN Elsevier BV, 2017 | | 2017 |
