Bulk and interfacial structures of reline deep eutectic solvent: A molecular dynamics study S Kaur, S Sharma, HK Kashyap The Journal of chemical physics 147 (19), 2017 | 104 | 2017 |
How the structure of pyrrolidinium ionic liquids is susceptible to high pressure S Sharma, A Gupta, HK Kashyap The Journal of Physical Chemistry B 120 (12), 3206-3214, 2016 | 45 | 2016 |
Temperature Dependence of Short and Intermediate Range Order in Molten MgCl2 and Its Mixture with KCl F Wu, S Sharma, S Roy, P Halstenberg, LC Gallington, SM Mahurin, S Dai, ... The Journal of Physical Chemistry B 124 (14), 2892-2899, 2020 | 43 | 2020 |
A brief guide to the structure of high-temperature molten salts and key aspects making them different from their low-temperature relatives, the ionic liquids S Sharma, AS Ivanov, CJ Margulis The Journal of Physical Chemistry B 125 (24), 6359-6372, 2021 | 38 | 2021 |
Pressure-dependent morphology of trihexyl (tetradecyl) phosphonium ionic liquids: A molecular dynamics study S Sharma, A Gupta, D Dhabal, HK Kashyap The Journal of Chemical Physics 145 (13), 2016 | 38 | 2016 |
Composition dependent structural organization in trihexyl (tetradecyl) phosphonium chloride ionic liquid-methanol mixtures A Gupta, S Sharma, HK Kashyap The Journal of Chemical Physics 142 (13), 2015 | 35 | 2015 |
Unraveling Local Structure of Molten Salts via X-ray Scattering, Raman Spectroscopy, and Ab Initio Molecular Dynamics S Roy, M Brehm, S Sharma, F Wu, DS Maltsev, P Halstenberg, ... The Journal of Physical Chemistry B 125 (22), 5971-5982, 2021 | 33 | 2021 |
Structure and dynamics of the molten alkali-chloride salts from an X-ray, simulation, and rate theory perspective S Roy, F Wu, H Wang, AS Ivanov, S Sharma, P Halstenberg, SK Gill, ... Physical Chemistry Chemical Physics 22 (40), 22900-22917, 2020 | 29 | 2020 |
Impact of amphiphilic molecules on the structure and stability of homogeneous sphingomyelin bilayer: Insights from atomistic simulations P Kumari, S Kaur, S Sharma, HK Kashyap The Journal of Chemical Physics 148 (16), 2018 | 28 | 2018 |
Structure of quaternary ammonium ionic liquids at interfaces: Effects of cation tail modification with isoelectronic groups S Sharma, HK Kashyap The Journal of Physical Chemistry C 119 (42), 23955-23967, 2015 | 27 | 2015 |
SEM-Drude Model for the Accurate and Efficient Simulation of MgCl2–KCl Mixtures in the Condensed Phase S Sharma, MS Emerson, F Wu, H Wang, EJ Maginn, CJ Margulis The Journal of Physical Chemistry A 124 (38), 7832-7842, 2020 | 21 | 2020 |
X-ray scattering reveals ion clustering of dilute chromium species in molten chloride medium S Roy, S Sharma, WV Karunaratne, F Wu, R Gakhar, DS Maltsev, ... Chemical Science 12 (23), 8026-8035, 2021 | 19 | 2021 |
Interfacial structure of pyrrolidinium cation based ionic liquids at charged carbon electrodes: The role of linear and nonlinear alkyl tails S Sharma, HK Kashyap The Journal of Physical Chemistry C 121 (24), 13202-13210, 2017 | 18 | 2017 |
A selenium-coordinated palladium (II) trans-dichloride molecular rotor as a catalyst for site-selective annulation of 2-arylimidazo [1, 2-a] pyridines N Meena, S Sharma, R Bhatt, VN Shinde, AP Sunda, N Bhuvanesh, ... Chemical Communications 56 (70), 10223-10226, 2020 | 17 | 2020 |
Molecular dynamics investigation of electrostatic properties of pyrrolidinium cation based ionic liquids near electrified carbon electrodes S Sharma, HS Dhattarwal, HK Kashyap Journal of Molecular Liquids 291, 111269, 2019 | 13 | 2019 |
Complete Description of the LaCl3–NaCl Melt Structure and the Concept of a Spacer Salt That Causes Structural Heterogeneity MS Emerson, S Sharma, S Roy, VS Bryantsev, AS Ivanov, R Gakhar, ... Journal of the American Chemical Society 144 (47), 21751-21762, 2022 | 9 | 2022 |
Structure of Molten Alkali Chlorides at Charged Interfaces and the Prediction and Interpretation of Their X-ray Reflectivity WV Karunaratne, S Sharma, BM Ocko, CJ Margulis The Journal of Physical Chemistry C 125 (45), 25227-25242, 2021 | 5 | 2021 |
Bridging the gap between theory and experiments on the structure, dynamics, and thermodynamics of molten salts S Roy, F Wu, H Wang, S Sharma, Y Zhang, M Emerson, V Bryantsev, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
Effects of small amphiphilic molecules on the structure and stability of Sphingomyelin bilayer: A molecular dynamics study P Kumari, S Kaur, S Sharma, H Kashyap ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
Molecular dynamics investigation of behavior of ionic liquids under high applied pressure S Sharma, H Kashyap ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |