| 1 |
Thermophysical Properties and Angular Jump Dynamics of Water: A Comparative DFT and DFT-Dispersion-Based Molecular Dynamics Study
Priyadarsini A, Dasari S, Mallik BS
Journal of Physical Chemistry A, 124(29), 6039, 2020 |
| 2 |
Conformational Free-Energy Landscapes of Alanine Dipeptide in Hydrated Ionic Liquids from Enhanced Sampling Methods
Dasari S, Mallik BS
Journal of Physical Chemistry B, 124(31), 6728, 2020 |
| 3 |
Cohesiveness and Nondiffusive Rotational Jump Dynamics of Protic Ionic Liquid from Dispersion-Corrected FPMD Simulations
Biswas A, Dasari S, Mallik BS
Journal of Physical Chemistry B, 124(47), 10752, 2020 |
| 4 |
Association of Nucleobases in Hydrated Ionic Liquid from Biased Molecular Dynamics Simulations
Dasari S, Mallik BS
Journal of Physical Chemistry B, 122(42), 9635, 2018 |
| 5 |
Nondiffusive Rotational Jump Dynamics in Ethyl Ammonium Nitrate
Dasari S, Mallik BS
Journal of Physical Chemistry B, 122(42), 9738, 2018 |
| 6 |
Hopping-Mediated Anion Transport through a Mannitol-Based Rosette Ion Channel
Saha T, Dasari S, Tewari D, Prathap A, Sureshan KM, Bera AK, Mukherjee A, Talukdar P
Journal of the American Chemical Society, 136(40), 14128, 2014 |
