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Ateeque Malani
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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
982009
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
922009
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
512018
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
472017
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
472017
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
472010
Monte Carlo Simulations of Silica Polymerization and Network Formation
AA Malani, PA Monson, SM Auerbach
The Journal of Physical Chemistry C, 2011
452011
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
452006
Relaxation and jump dynamics of water at the mica interface
A Malani, KG Ayappa
J. Chem. Phys. 136 (19), 194701, 2012
402012
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
382018
Can dynamic contact angle be measured using molecular modeling?
A Malani, A Raghavanpillai, EB Wysong, GC Rutledge
Physical Review Letters 109 (18), 184501, 2012
332012
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
282018
Hydration of ions under confinement
A Malani, S Murad, KG Ayappa
Molecular Simulation 36 (7-8), 579-589, 2010
202010
Structural behavior of isolated asphaltene molecules at the oil–water interface
MB Singh, N Rampal, A Malani
Energy & Fuels 32 (8), 8259-8267, 2018
192018
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
182016
Confined fluids in a Janus pore: influence of surface asymmetry on structure and solvation forces
A Malani, KG Ayappa
Taylor & Francis Group, 2012
102012
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
102007
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
82017
Polymerization kinetics of a multi-functional silica precursor studied using a novel Monte Carlo simulation technique
I Shere, A Malani
Physical Chemistry Chemical Physics 20 (5), 3554-3570, 2018
72018
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
62021
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