| Understanding of interfacial tension and interface thickness of liquid/liquid interface at a finite concentration of alkyl phosphate by molecular dynamics simulation A Das, SM Ali Journal of Molecular Liquids 277, 217-232, 2019 | 26 | 2019 |
| Molecular dynamics simulation for the calibration of the OPLS force field using DFT derived partial charges for the screening of alkyl phosphate ligands by studying structure … A Das, P Sahu, SM Ali Journal of Chemical & Engineering Data 62 (8), 2280-2295, 2017 | 24 | 2017 |
| Molecular Dynamics Simulation for the Test of Calibrated OPLS-AA Force Field for Binary Liquid Mixture of Tri-iso-amyl Phosphate and n-Dodecane A Das, SM Ali Journal of chemical Physics 148 (7), 2018 | 19 | 2018 |
| Molecular dynamics simulation studies on structure, dynamics, and thermodynamics of uranyl nitrate solution at various acid concentrations A Das, SM Ali The Journal of Physical Chemistry B 123 (21), 4571-4586, 2019 | 16 | 2019 |
| Deciphering the curved profile of uranyl ions at the aqueous-organic interface by atomistic simulations A Das, SM Ali Journal of Molecular Liquids 343, 117599, 2021 | 6 | 2021 |
| Unusual behavior of Stokes–Einstein relation in liquid mixtures A Das, SM Ali AIP Advances 10 (4), 2020 | 5 | 2020 |
| Structure and dynamics of dissociated and undissociated forms of nitric acid and their implications in interfacial mass transfer: insights from molecular dynamics simulations A Das, SM Ali Physical Chemistry Chemical Physics 26 (8), 6916-6938, 2024 | 1 | 2024 |
| Back Extraction of Uranyl Ion into Aqueous Phase Using Molecular Dynamics Simulations A Das, SM Ali, K Jayanarayanan, U Dani Proceedings of the eleventh biennial symposium on emerging trends in …, 2024 | | 2024 |
| Evaluation of Rate of Dissolution of UNF for Indian PHWR A Das, K Jayanarayanan | | 2024 |
| Elucidation of the Decomplexation and Reverse Migration Mechanism of Uranyl Ions from the Oil Phase to the Aqueous Phase Using Microsecond (0.2 μs) Molecular Dynamics Simulations A. Das, Sk. M. Ali Langmuir 40 (43), 22812 - 22823, 2024 | | 2024 |
| Structure and Dynamics Of Radionuclide Ligand Solvent Systems In The Fuel Reprocessing Molecular Dynamics Simulations Studies A DAS Homi Bhabha National Institute, Mumbai, 2021 | | 2021 |
| Radionuclide ligand-solvent systems in fuel reprocessing A Das, SM Ali BARC Newsletter, 32-38, 2021 | | 2021 |
| Molecular dynamics simulation for the screening of composition of tri-isoamyl phosphate and dodecane for use in PUREX process A Das, SM Ali Proceedings of the eight biennial symposium on emerging trends in separation …, 2018 | | 2018 |
Dr. Sk. Musharaf AliBhabha Atomic Research CentreAdresse e-mail validée de barc.gov.in