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beena rai
Tata research development and design centre
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Quantitative and qualitative evaluation of adsorption/desorption of bovine serum albumin on hydrophilic and hydrophobic surfaces
YL Jeyachandran, E Mielczarski, B Rai, JA Mielczarski
Langmuir 25 (19), 11614-11620, 2009
3882009
Efficiency of blocking of non-specific interaction of different proteins by BSA adsorbed on hydrophobic and hydrophilic surfaces
YL Jeyachandran, JA Mielczarski, E Mielczarski, B Rai
Journal of colloid and interface science 341 (1), 136-142, 2010
2842010
A molecular dynamics study of the interaction of oleate and dodecylammonium chloride surfactants with complex aluminosilicate minerals
B Rai, P Sathish, J Tanwar, KS Moon, DW Fuerstenau
Journal of Colloid and Interface Science 362 (2), 510-516, 2011
2192011
Effect of size and surface charge of gold nanoparticles on their skin permeability: a molecular dynamics study
R Gupta, B Rai
Scientific reports 7 (1), 45292, 2017
2072017
Amino acids as copper corrosion inhibitors: A density functional theory approach
D Kumar, N Jain, V Jain, B Rai
Applied Surface Science 514, 145905, 2020
1922020
Molecular modeling of interactions of diphosphonic acid based surfactants with calcium minerals
Pradip, B Rai, TK Rao, S Krishnamurthy, R Vetrivel, J Mielczarski, ...
Langmuir 18 (3), 932-940, 2002
1382002
Effect of Chemical Permeation Enhancers on Skin Permeability: In silico screening using Molecular Dynamics simulations
R Gupta, BS Dwadasi, B Rai, S Mitragotri
Scientific reports 9 (1), 1456, 2019
1372019
Effect of salt concentration on properties of lithium ion battery electrolytes: a molecular dynamics study
B Ravikumar, M Mynam, B Rai
The Journal of Physical Chemistry C 122 (15), 8173-8181, 2018
1232018
Molecular modeling and rational design of flotation reagents
B Rai
International Journal of Mineral Processing 72 (1-4), 95-110, 2003
1202003
Imidazole derivatives as corrosion inhibitors for copper: A DFT and reactive force field study
D Kumar, V Jain, B Rai
Corrosion Science 171, 108724, 2020
1192020
Molecular modeling of interactions of alkyl hydroxamates with calcium minerals
B Rai, TK Rao, S Krishnamurthy, R Vetrivel, J Mielczarski, JM Cases
Journal of colloid and interface science 256 (1), 106-113, 2002
1102002
Molecular dynamics simulation study of permeation of molecules through skin lipid bilayer
R Gupta, DB Sridhar, B Rai
The Journal of Physical Chemistry B 120 (34), 8987-8996, 2016
1082016
Molecular dynamic simulations of self-assembled alkylthiolate monolayers on an Au (111) surface
B Rai, P Sathish, CP Malhotra, Pradip, KG Ayappa
Langmuir 20 (8), 3138-3144, 2004
1072004
Unravelling the mechanisms of corrosion inhibition of iron by henna extract: A density functional theory study
D Kumar, V Jain, B Rai
Corrosion Science 142, 102-109, 2018
872018
Permeation of nanoparticles across the intestinal lipid membrane: dependence on shape and surface chemistry studied through molecular simulations
R Gupta, Y Badhe, S Mitragotri, B Rai
Nanoscale 12 (11), 6318-6333, 2020
812020
Molecular mechanism of the skin permeation enhancing effect of ethanol: A molecular dynamics study
R Gupta, Y Badhe, B Rai, S Mitragotri
RSC advances 10 (21), 12234-12248, 2020
772020
Design of tailor-made surfactants for industrial applications using a molecular modelling approach
B Rai
Colloids and Surfaces A: Physicochemical and Engineering Aspects 205 (1-2 …, 2002
772002
Bulk and surface DFT investigations of inorganic halide perovskites screened using machine learning and materials property databases
D Jain, S Chaube, P Khullar, SG Srinivasan, B Rai
Physical Chemistry Chemical Physics 21 (35), 19423-19436, 2019
762019
Molecular dynamics simulation study of skin lipids: effects of the molar ratio of individual components over a wide temperature range
R Gupta, B Rai
The Journal of Physical Chemistry B 119 (35), 11643-11655, 2015
752015
Molecular modeling for the design of novel performance chemicals and materials
B Rai
CRC Press, 2012
752012
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Artículos 1–20