Density functional theory investigations on the structure and dissolution mechanisms for cellobiose and xylan in an ionic liquid: gas phase and cluster calculations RS Payal, R Bharath, G Periyasamy, S Balasubramanian The Journal of Physical Chemistry B 116 (2), 833-840, 2012 | 81 | 2012 |
Dissolution of cellulose in ionic liquids: an ab initio molecular dynamics simulation study RS Payal, S Balasubramanian Physical Chemistry Chemical Physics 16 (33), 17458-17465, 2014 | 54 | 2014 |
Dissolution of cellulose in room temperature ionic liquids: anion dependence RS Payal, KK Bejagam, A Mondal, S Balasubramanian The Journal of Physical Chemistry B 119 (4), 1654-1659, 2015 | 48 | 2015 |
Orientational ordering of ionic liquids near a charged mica surface R Singh Payal, S Balasubramanian ChemPhysChem 13 (7), 1764-1771, 2012 | 43 | 2012 |
Homogenous mixing of ionic liquids: molecular dynamics simulations RS Payal, S Balasubramanian Physical Chemistry Chemical Physics 15 (48), 21077-21083, 2013 | 42 | 2013 |
Shear viscosity of linear alkanes through molecular simulations: quantitative tests for n-decane and n-hexadecane RS Payal, S Balasubramanian, I Rudra, K Tandon, I Mahlke, D Doyle, ... Molecular Simulation 38 (14-15), 1234-1241, 2012 | 37 | 2012 |
Molecular mechanism of material deformation and failure in butadiene rubber: Insight from all-atom molecular dynamics simulation using a bond breaking potential model RS Payal, K Fujimoto, C Jang, W Shinoda, Y Takei, H Shima, K Tsunoda, ... Polymer 170, 113-119, 2019 | 24 | 2019 |
Effect of cation symmetry on the organization of ionic liquids near a charged mica surface RS Payal, S Balasubramanian Journal of Physics: Condensed Matter 26 (28), 284101, 2014 | 24 | 2014 |
Effect of thermal treatment on the magnetic properties of nanostructured zinc ferrite JP Singh, RS Payal, RC Srivastava, HM Agrawal, P Chand, A Tripathi, ... Journal of Physics: Conference Series 217 (1), 012108, 2010 | 16 | 2010 |
Diagnostics of homologous solar-surge plasma as observed by IRIS and SDO P Kayshap, R Singh Payal, SC Tripathi, H Padhy Monthly Notices of the Royal Astronomical Society 505 (4), 5311-5326, 2021 | 6 | 2021 |
Dynamic Atomic Force Microscopy for Ionic Liquids: Massless Model Shows the Way RS Payal, S Balasubramanian ChemPhysChem 13 (13), 3085-3086, 2012 | 6 | 2012 |
Crystallization of polymers under the influence of an external force field RS Payal, JU Sommer Polymers 13 (13), 2078, 2021 | 5 | 2021 |
Development of dissociative force field for all‐atomistic molecular dynamics calculation of fracture of polymers K Fujimoto, RS Payal, T Hattori, W Shinoda, M Nakagaki, S Sakaki, ... Journal of Computational Chemistry 40 (29), 2571-2576, 2019 | 5 | 2019 |
Ab-initio study on the covalent nature of hydrogen bonding in cellobiose S Mittal, S Prasad, RS Payal, S Ravi Cellulose 30 (2), 689-704, 2023 | | 2023 |
Densities and Viscosities of H2S at Elevated Pressures and Temperatures Using Molecular Dynamics Simulations A Verma, RS Payal, I Rudra, S Balasubramanian 2018 AIChE Annual Meeting, 2018 | | 2018 |
Atomistic simulations of room temperature ionic liquids: biomass dissolution, interfaces and mixtures RS Payal Jawaharlal Nehru Centre for Advanced Scientific Research, 2014 | | 2014 |