| Influence of hydrophilic surface specificity on the structural properties of confined water A Malani, KG Ayappa, S Murad The Journal of Physical Chemistry B 113 (42), 13825-13839, 2009 | 109 | 2009 |
| Adsorption isotherms of water on mica: redistribution and film growth A Malani, KG Ayappa The Journal of Physical Chemistry B 113 (4), 1058-1067, 2009 | 102 | 2009 |
| CO 2 adsorption and separation in covalent organic frameworks with interlayer slipping A Sharma, A Malani, NV Medhekar, R Babarao CrystEngComm 19 (46), 6950-6963, 2017 | 72 | 2017 |
| Role of hydration energy and co-ions association on monovalent and divalent cations adsorption at mica-aqueous interface S Adapa, A Malani Scientific Reports 8, 12198, 2018 | 64 | 2018 |
| Catalysis and CO2 Capture by Palladium‐Incorporated Covalent Organic Frameworks D Kaleeswaran, R Antony, A Sharma, A Malani, R Murugavel ChemPlusChem 82 (10), 1253-1265, 2017 | 60 | 2017 |
| Probing the Mechanism of Silica Polymerization at Ambient Temperatures using Monte Carlo Simulations A Malani, SM Auerbach, PA Monson The Journal of Physical Chemistry Letters 1, 3219-3224, 2010 | 52 | 2010 |
| Methane adsorption and separation in slipped and functionalized covalent organic frameworks A Sharma, R Babarao, NV Medhekar, A Malani Industrial & Engineering Chemistry Research 57 (14), 4767-4778, 2018 | 50 | 2018 |
| Monte Carlo Simulations of Silica Polymerization and Network Formation AA Malani, PA Monson, SM Auerbach The Journal of Physical Chemistry C, 2011 | 48 | 2011 |
| Effect of confinement on the hydration and solubility of NaCl in water A Malani, KG Ayappa, S Murad Chemical Physics Letters 431 (1-3), 88-93, 2006 | 46 | 2006 |
| Relaxation and jump dynamics of water at the mica interface A Malani, KG Ayappa J. Chem. Phys. 136 (19), 194701, 2012 | 42 | 2012 |
| Role of mono-and divalent surface cations on the structure and adsorption behavior of water on mica surface S Adapa, DR Swamy, S Kancharla, S Pradhan, A Malani Langmuir 34 (48), 14472-14488, 2018 | 38 | 2018 |
| Can dynamic contact angle be measured using molecular modeling? A Malani, A Raghavanpillai, EB Wysong, GC Rutledge Physical Review Letters 109 (18), 184501, 2012 | 32 | 2012 |
| Structural behavior of isolated asphaltene molecules at the oil–water interface MB Singh, N Rampal, A Malani Energy & Fuels 32 (8), 8259-8267, 2018 | 31 | 2018 |
| Comparative Study of Water Adsorption on a H+ and K+ Ion Exposed Mica Surface: Monte Carlo Simulation Study R Debbarma, A Malani Langmuir 32 (4), 1034-1046, 2016 | 20 | 2016 |
| Hydration of ions under confinement A Malani, S Murad, KG Ayappa Molecular Simulation 36 (7-8), 579-589, 2010 | 20 | 2010 |
| Investigation of adhesion between heavy oil/bitumen and reservoir rock: a molecular dynamics study B Meghwal, N Rampal, A Malani Energy & Fuels 34 (12), 16023-16034, 2020 | 15 | 2020 |
| Role of cation size on swelling pressure and free energy of mica pores S Adapa, A Malani Journal of Colloid and Interface Science 599, 694-705, 2021 | 12 | 2021 |
| Computational materials chemistry for carbon capture using porous materials A Sharma, R Huang, A Malani, R Babarao Journal of Physics D: Applied Physics 50 (46), 463002, 2017 | 11 | 2017 |
| Cation hydration by confined water and framework-atoms have crucial role on thermodynamics of clay swelling S Adapa, A Malani Scientific Reports 12, 17810, 2022 | 10 | 2022 |
| Molecular simulations: probing systems from the nanoscale to mesoscale KG Ayappa, A Malani, P Kalyan, F Thakkar Journal of the Indian Institute of Science 87 (1), 35-60, 2007 | 10 | 2007 |
K. Ganapathy AyappaProfessor of Chemical Engineering, Indian Institute of ScienceVerified email at iisc.ac.in