Thermodynamics of hydration of fullerols [C60 (OH) n] and hydrogen bond dynamics in their hydration shells S Keshri, BL Tembe
The Journal of chemical physics 146 (7), 2017
19 2017 Solvation structure of sodium chloride (Na+–Cl−) ion pair in dimethyl sulfoxide–acetonitrile mixtures UN Patil, S Keshri, BL Tembe
Journal of Molecular Liquids 207, 279-285, 2015
16 2015 Molecular Dynamics Simulation of Na+ –Cl– Ion-Pair in Water–Methanol Mixtures under Supercritical and Ambient Conditions S Keshri, A Sarkar, BL Tembe
The Journal of Physical Chemistry B 119 (50), 15471-15484, 2015
14 2015 Thermodynamics of Na+ Cl− ion–pair association in acetonitrile–dimethyl sulfoxide mixtures UN Patil, S Keshri, BL Tembe
Chemical Physics Letters 620, 134-138, 2015
14 2015 Structural and dynamical properties of alkaline earth metal halides in supercritical water: effect of ion size and concentration S Keshri, BL Tembe
The Journal of Physical Chemistry B 121 (46), 10543-10555, 2017
11 2017 Solubility of Gases in Choline Chloride based Deep Eutectic Solvents from Molecular Dynamics Simulation S Keshri, K Kumar
Industrial & Engineering Chemistry Research (Just Accepted), 2022
10 2022 Solvation structures and dynamics of alkaline earth metal halides in supercritical water: A molecular dynamics study S Keshri, R Mandal, BL Tembe
Chemical Physics 476, 80-90, 2016
10 2016 Molecular dynamics simulations of Na+-Cl− ion-pair in supercritical methanol S Keshri, A Sarkar, BL Tembe
The Journal of Supercritical Fluids 103, 61-69, 2015
10 2015 Thermodynamics of association of water soluble fullerene derivatives [ , n = 0, 2, 4, 8 and 12] in aqueous media S Keshri, BL Tembe
Journal of Chemical Sciences 129, 1327-1340, 2017
9 2017 Ion association in binary mixtures of water-CO2 in supercritical conditions through classical molecular dynamics simulations S Keshri, BL Tembe
Journal of Molecular Liquids 257, 82-92, 2018
6 2018 Insights into the structural and thermodynamic properties of fullerols [C60 (OH) n, n= 12, 14, 16, 18, 20, 22, 24] in aqueous media S Keshri
Fluid Phase Equilibria 525, 112805, 2020
4 2020 Alkali metal chlorides in DMSO–methanol binary mixtures: insights into the structural properties through molecular dynamics simulations BLT Sonanki Keshri, Ujwala N Patil
Theoretical Chemistry Accounts 140, 157, 2021
2 2021 Concentrated brines in aqueous methanolic solutions in supercritical conditions: Effect of concentration and composition from molecular dynamics simulations S Keshri, UN Patil
Fluid Phase Equilibria 536, 112978, 2021
2 2021 Unravelling the structural and dynamical properties of concentrated aqueous ammonium nitrate solutions: MD simulation studies UN Patil, S Keshri
molecular simulation 49 (15), 1413-1430, 2023
1 2023 Superhydrophobic Coatings: Insights and Real‐World Applications S Keshri, S Sudha, S Roychowdhury, K Kumar
Functional Coatings: Innovations and Challenges, 299-337, 2024
2024 In–silico approach of effect of protein on complexation of cucurbit [7] uril with N-(ferrocenylmethyl) aniline S Ramalakshmi, K Sonanki, R Prakash, G Usha, K Karpagalakshmi, ...
Materials Today: Proceedings 51, 1733-1737, 2022
2022