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Coarse grained MD simulation of bulk and interfacial behavior of mixture of CTAB/SDS surfactants
Journal of molecular modeling, 2024-06, Vol.30 (6), p.162-162, Article 162
2024
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Imidazole derivatives as corrosion inhibitors for copper: A DFT and reactive force field study
Corrosion science, 2020-07, Vol.171, p.108724, Article 108724
2020
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Accelerating corrosion inhibitor discovery through computational routes: a case of naphthalene 1-thiocarboxamide
Npj Materials degradation, 2024-01, Vol.8 (1), p.5-9, Article 5
2024
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Amino acids as copper corrosion inhibitors: A density functional theory approach
Applied surface science, 2020-06, Vol.514, p.145905, Article 145905
2020
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Capturing the synergistic effects between corrosion inhibitor molecules using density functional theory and ReaxFF simulations - A case for benzyl azide and butyn-1-ol on Cu surface
Corrosion science, 2022-02, Vol.195, p.109960, Article 109960
2022
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Unravelling the mechanisms of corrosion inhibition of iron by henna extract: A density functional theory study
Corrosion science, 2018-09, Vol.142, p.102-109
2018
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Silica Aerogel Microparticles from Rice Husk Ash for Drug Delivery
Industrial & engineering chemistry research, 2015-01, Vol.54 (3), p.949-956
2015
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Can carboxymethyl cellulose be used as a selective flocculant for beneficiating alumina-rich iron ore slimes? A density functional theory and experimental study
Minerals engineering, 2018-06, Vol.121, p.47-54
2018
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Integrating experiments, DFT and characterization for comprehensive corrosion inhibition studies – A case for cinnamaldehyde as an excellent green inhibitor for steels in acidic media
Corrosion science, 2022-11, Vol.208, p.110623, Article 110623
2022
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Understanding flotation processes at the atomic scale using density functional theory – A case study on adsorption of 2-Mercaptobenzothiazole on chalcopyrite and pyrite surfaces
Applied surface science, 2022-03, Vol.579, p.152112, Article 152112
2022
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Understanding Synergistic Effects Between Corrosion Inhibitor Molecules Using Density Functional Theory
Transactions of the Indian National Academy of Engineering (Online), 2023-09, Vol.8 (3), p.403-409
2023
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Guar gum as a selective flocculant for the beneficiation of alumina rich iron ore slimes: Density functional theory and experimental studies
Minerals engineering, 2017-08, Vol.109, p.144-152
2017
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Understanding Surface Characteristics and 2-Mercaptobenzothiazole Adsorption on Pyrite, Arsenopyrite and Chalcopyrite Surfaces Using DFT Approach
Transactions of the Indian Institute of Metals, 2023-06
2023
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Selective Flocculation of Iron Ore Slimes: Results of Successful Pilot Plant Trials at Tata Steel, Noamundi
Transactions of the Indian Institute of Metals, 2017-03, Vol.70 (2), p.411-419
2017
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Materials Design in Digital Era: Challenges and Opportunities
Transactions of the Indian Institute of Metals, 2019-08, Vol.72 (8), p.2199-2208
2019
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Corrosion inhibition
Flow Assurance, 2022, Vol.2
2022
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Uptake, Transport, and Remediation of Arsenic by Algae and Higher Plants
Arsenic Contamination in the Environment, 2017
2017
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