| Self-exfoliated guanidinium-based ionic covalent organic nanosheets (iCONs) S Mitra, S Kandambeth, BP Biswal, A Khayum M, CK Choudhury, ... Journal of the American Chemical Society 138 (8), 2823-2828, 2016 | 176 | 2016 |
| Selective CO 2 and H 2 adsorption in a chiral magnesium-based metal organic framework (Mg-MOF) with open metal sites A Mallick, S Saha, P Pachfule, S Roy, R Banerjee Journal of Materials Chemistry 20 (41), 9073-9080, 2010 | 147 | 2010 |
| Stability and bandgap of semiconductor clusters JO Joswig, S Roy, P Sarkar, M Springborg Chemical physics letters 365 (1-2), 75-81, 2002 | 66 | 2002 |
| Structural and dynamical properties of polyethylenimine in explicit water at different protonation states: a molecular dynamics study CK Choudhury, S Roy Soft Matter 9 (7), 2269-2281, 2013 | 57 | 2013 |
| Effect of gold nanoparticle on structure and fluidity of lipid membrane AR Mhashal, S Roy PLoS One 9 (12), e114152, 2014 | 50 | 2014 |
| Methane hydrate formation in a test sediment of sand and clay at various levels of water saturation A Kumar, T Sakpal, S Roy, R Kumar Canadian journal of chemistry 93 (8), 874-881, 2015 | 43 | 2015 |
| Assembly of polyethyleneimine in the hexagonal mesophase of nonionic surfactant: effect of pH and temperature KP Sharma, CK Choudhury, S Srivastava, H Davis, PR Rajamohanan, ... The Journal of Physical Chemistry B 115 (29), 9059-9069, 2011 | 43 | 2011 |
| Structure and gas sorption behavior of a new three dimensional porous magnesium formate A Mallick, S Saha, P Pachfule, S Roy, R Banerjee Inorganic chemistry 50 (4), 1392-1401, 2011 | 40 | 2011 |
| Characterization of conformation and interaction of gene delivery vector polyethylenimine with phospholipid bilayer at different protonation state CK Choudhury, A Kumar, S Roy Biomacromolecules 14 (10), 3759-3768, 2013 | 39 | 2013 |
| Heat transfer calculations for decomposition of structure I methane hydrates by molecular dynamics simulation VS Baghel, R Kumar, S Roy The Journal of Physical Chemistry C 117 (23), 12172-12182, 2013 | 39 | 2013 |
| Validation of force fields of rubber through glass-transition temperature calculation by microsecond atomic-scale molecular dynamics simulation P Sharma, S Roy, HA Karimi-Varzaneh The Journal of Physical Chemistry B 120 (7), 1367-1379, 2016 | 38 | 2016 |
| Headgroup mediated water insertion into the DPPC bilayer: a molecular dynamics study PR Pandey, S Roy The Journal of Physical Chemistry B 115 (12), 3155-3163, 2011 | 38 | 2011 |
| Morphology of phosphonic acid-functionalized block copolymers studied by dissipative particle dynamics S Roy, D Markova, A Kumar, M Klapper, F Müller-Plathe Macromolecules 42 (3), 841-848, 2009 | 36 | 2009 |
| Is it possible to change wettability of hydrophilic surface by changing its roughness? PR Pandey, S Roy The Journal of Physical Chemistry Letters 4 (21), 3692-3697, 2013 | 33 | 2013 |
| Theoretical study of structural and electronic properties of naked stoichiometric and nonstoichiometric indium phosphide clusters S Roy, M Springborg The Journal of Physical Chemistry B 107 (12), 2771-2779, 2003 | 27 | 2003 |
| Molecular dynamics simulation of phosphoric acid doped monomer of polybenzimidazole: a potential component polymer electrolyte membrane of fuel cell S Pahari, CK Choudhury, PR Pandey, M More, A Venkatnathan, S Roy The Journal of Physical Chemistry B 116 (24), 7357-7366, 2012 | 26 | 2012 |
| Molecular dynamics simulations of heptyl phosphonic acid: A potential polymer component for fuel cell polymer membrane S Roy, TM Ataol, F Müller-Plathe The Journal of Physical Chemistry B 112 (25), 7403-7409, 2008 | 26 | 2008 |
| Structural, dynamical, and thermodynamical properties of carbon nanotube polycarbonate composites: A molecular dynamics study S Chakraborty, S Roy The Journal of Physical Chemistry B 116 (10), 3083-3091, 2012 | 25 | 2012 |
| Morphology and dynamics of carbon nanotube in polycarbonate carbon nanotube composite from dissipative particle dynamics simulation S Chakraborty, CK Choudhury, S Roy Macromolecules 46 (9), 3631-3638, 2013 | 24 | 2013 |
| Vesicle Structures from Bolaamphiphilic Biosurfactants: Experimental and Molecular Dynamics Simulation Studies on the Effect of Unsaturation on Sophorolipid Self‐Assemblies P Dhasaiyan, PR Pandey, N Visaveliya, S Roy, BLV Prasad Chemistry–A European Journal 20 (21), 6246-6250, 2014 | 22 | 2014 |
