Propane–water mixtures confined within cylindrical silica nanopores: structural and dynamical properties probed by molecular dynamics TTB Le, A Striolo, SS Gautam, DR Cole Langmuir 33 (42), 11310-11320, 2017 | 39 | 2017 |
Diffusion of acetylene inside zeolite: Molecular dynamics simulation studies S Gautam, S Mitra, R Mukhopadhyay, SL Chaplot Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 74 (4 …, 2006 | 39 | 2006 |
Dynamics of water sorbed in reverse osmosis polyamide membrane VK Sharma, PS Singh, S Gautam, P Maheshwari, D Dutta, ... Journal of Membrane Science 326 (2), 667-671, 2009 | 36 | 2009 |
Dynamics of propane in nanoporous silica aerogel: A quasielastic neutron scattering study S Gautam, T Liu, G Rother, N Jalarvo, E Mamontov, S Welch, J Sheets, ... The Journal of Physical Chemistry C 119 (32), 18188-18195, 2015 | 35 | 2015 |
Role of Confinement on Adsorption and Dynamics of Ethane and an Ethane–CO2 Mixture in Mesoporous CPG Silica S Patankar, S Gautam, G Rother, A Podlesnyak, G Ehlers, T Liu, DR Cole, ... The Journal of Physical Chemistry C 120 (9), 4843-4853, 2016 | 33 | 2016 |
Structure and dynamics of confined COH fluids relevant to the subsurface: application of magnetic resonance, neutron scattering, and molecular dynamics simulations SS Gautam, S Ok, DR Cole Frontiers in Earth Science 5, 43, 2017 | 29 | 2017 |
Dynamics of absorbed water in saponite clay: Neutron scattering study D Chakrabarty, S Gautam, S Mitra, A Gil, MA Vicente, R Mukhopadhyay Chemical physics letters 426 (4-6), 296-300, 2006 | 28 | 2006 |
Water uptake by silica nanopores: impacts of surface hydrophilicity and pore size G Rother, AG Stack, S Gautam, T Liu, DR Cole, A Busch The Journal of Physical Chemistry C 124 (28), 15188-15194, 2020 | 27 | 2020 |
Diffusion of water in nanoporous NF polyamide membrane VK Sharma, PS Singh, S Gautam, S Mitra, R Mukhopadhyay Chemical Physics Letters 478 (1-3), 56-60, 2009 | 27 | 2009 |
Dynamics of adsorbed hydrocarbon in nanoporous zeolite framework VK Sharma, S Gautam, S Mitra, MN Rao, AK Tripathi, SL Chaplot, ... The Journal of Physical Chemistry B 113 (23), 8066-8072, 2009 | 27 | 2009 |
Sorption, Structure and Dynamics of CO2 and Ethane in Silicalite at High Pressure: A Combined Monte Carlo and Molecular Dynamics Simulation Study S Gautam, T Liu, D Cole Molecules 24 (1), 99, 2018 | 25 | 2018 |
Molecular dynamics simulations of propane in slit shaped silica nano-pores: direct comparison with quasielastic neutron scattering experiments S Gautam, T Le, A Striolo, D Cole Physical Chemistry Chemical Physics 19 (48), 32320-32332, 2017 | 25 | 2017 |
Location dependent orientational structure and dynamics of ethane in ZSM5 S Gautam, T Liu, S Patankar, D Tomasko, D Cole Chemical Physics Letters 648, 130-136, 2016 | 22 | 2016 |
Rotational dynamics of propylene in ZSM-5 zeolitic frameworks S Gautam, VK Sharma, S Mitra, SL Chaplot, R Mukhopadhyay Chemical Physics Letters 501 (4-6), 345-350, 2011 | 22 | 2011 |
CO2 Adsorption in Metal-Organic Framework Mg-MOF-74: Effects of Inter-Crystalline Space S Gautam, D Cole Nanomaterials 10 (11), 2274, 2020 | 21 | 2020 |
Effects of water on the stochastic motions of propane confined in MCM-41-S pores S Gautam, TTB Le, G Rother, N Jalarvo, T Liu, E Mamontov, S Dai, ... Physical Chemistry Chemical Physics 21 (45), 25035-25046, 2019 | 21 | 2019 |
Effects of confinement and pressure on the vibrational behavior of nano-confined propane S Gautam, AI Kolesnikov, G Rother, S Dai, ZA Qiao, D Cole The Journal of Physical Chemistry A 122 (33), 6736-6745, 2018 | 21 | 2018 |
Dynamics of propylene adsorbed in Na-Y and Na-ZSM5 zeolites: a QENS and MD simulation study VK Sharma, S Gautam, S Mitra, R Mukhopadhyay Zeitschrift für Physikalische Chemie 224 (1-2), 133-152, 2010 | 21 | 2010 |
Diffusion of propylene adsorbed in Na-Y and Na-ZSM5 zeolites: Neutron scattering and FTIR studies S Gautam, AK Tripathi, VS Kamble, S Mitra, R Mukhopadhyay Pramana 71, 1153-1157, 2008 | 21 | 2008 |
Dynamics of 1, 3-butadiene adsorbed in Na-Y zeolite: A molecular dynamics simulation study S Gautam, S Mitra, SL Chaplot, R Mukhopadhyay Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 77 (6 …, 2008 | 21 | 2008 |