Rajdeep Singh Payal
Rajdeep Singh Payal
Assistant Professor, VIT Bhopal
Verified email at vitbhopal.ac.in - Homepage
Title
Cited by
Cited by
Year
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
632012
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
452014
Homogenous mixing of ionic liquids: molecular dynamics simulations
RS Payal, S Balasubramanian
Physical Chemistry Chemical Physics 15 (48), 21077-21083, 2013
372013
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
362015
Orientational ordering of ionic liquids near a charged mica surface
R Singh Payal, S Balasubramanian
ChemPhysChem 13 (7), 1764-1771, 2012
352012
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
272012
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
202014
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
132010
Dynamic Atomic Force Microscopy for Ionic Liquids: Massless Model Shows the Way
RS Payal, S Balasubramanian
ChemPhysChem 13 (13), 3085-3086, 2012
52012
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
42019
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
32019
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
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Articles 1–13