| 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 | 464 | 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 | 168 | 2010 |
| 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 | 119 | 2015 |
| 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 | 89 | 2013 |
| Stability and bandgap of semiconductor clusters JO Joswig, S Roy, P Sarkar, M Springborg Chemical physics letters 365 (1-2), 75-81, 2002 | 75 | 2002 |
| 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 | 73 | 2016 |
| Effect of gold nanoparticle on structure and fluidity of lipid membrane AR Mhashal, S Roy PLoS One 9 (12), e114152, 2014 | 68 | 2014 |
| Effect of sodium dodecyl sulfate surfactant on methane hydrate formation: a molecular dynamics study N Choudhary, VR Hande, S Roy, S Chakrabarty, R Kumar The Journal of Physical Chemistry B 122 (25), 6536-6542, 2018 | 64 | 2018 |
| 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 | 57 | 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 | 54 | 2013 |
| Analysis of menstrual records of women immunized with anti-hCG vaccines inducing antibodies partially cross-reactive with hLH I Kharat, NS Nair, K Dhall, H Sawhney, U Krishna, SM Shahani, ... Contraception 41 (3), 293-299, 1990 | 53 | 1990 |
| 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 | 52 | 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 | 51 | 2013 |
| 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 | 48 | 2009 |
| 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 | 46 | 2011 |
| 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 | 45 | 2011 |
| Effect of polyvinylpyrrolidone at methane hydrate-liquid water interface. Application in flow assurance and natural gas hydrate exploitation N Choudhary, S Das, S Roy, R Kumar Fuel 186, 613-622, 2016 | 43 | 2016 |
| A review of clathrate hydrate nucleation, growth and decomposition studied using molecular dynamics simulation S Das, KM Tadepalli, S Roy, R Kumar Journal of Molecular Liquids 348, 118025, 2022 | 38 | 2022 |
| 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 | 35 | 2014 |
| A comparison of different water models for melting point calculation of methane hydrate using molecular dynamics simulations N Choudhary, S Chakrabarty, S Roy, R Kumar Chemical Physics 516, 6-14, 2019 | 34 | 2019 |
