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Ish: Dual-functional Quercus palustris leaves extract as a sustainable corrosion inhibitor for low-carbon steel and its biomedical potential: Electrochemical, biological, and computational insights

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Basis Set Exchange: A Community Database for Computational Sciences
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Experimental and computational studies on hydroxamic acids as environmental friendly chelating corrosion inhibitors for mild steel in aqueous acidic medium
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Investigations on some coumarin based corrosion inhibitors for mild steel in aqueous acidic medium: Electrochemical, surface morphological, density functional theory and Monte Carlo simulation approach
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Maqola202112 iqtibos
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Corrosion inhibition, surface adsorption and computational studies of Swertia chirata extract: A sustainable and green approach
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Maqola202111 iqtibos
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Inhibition performances of new pyrazole derivatives against the corrosion of C38 steel in acidic medium: Computational study
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Maqola202411 iqtibos
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Anticorrosive properties of a green and sustainable inhibitor from leaves extract of Cannabis sativa plant: Experimental and theoretical approach
Rajesh Haldhar, Dwarika Prasad, Nripendranath Mandal +3
Maqola202110 iqtibos
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Anti-Corrosion Coating Formation by a Biopolymeric Extract of Artemisia herba-alba Plant: Experimental and Theoretical Investigations
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Maqola202310 iqtibos
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An overview on plant extracts as environmental sustainable and green corrosion inhibitors for metals and alloys in aggressive corrosive media
Chandrabhan Verma, Eno E. Ebenso, Indra Bahadur +1
Maqola20189 iqtibos
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Use of Sida cordifolia extract as green corrosion inhibitor for mild steel in 0.5 M H2SO4
Akhil Saxena, Dwarika Prasad, Rajesh Haldhar +2
Maqola20179 iqtibos
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Quantum Chemistry for Solvated Molecules on Graphical Processing Units Using Polarizable Continuum Models
Fang Liu, Nathan Luehr, Heather J. Kulik +1
Maqola20158 iqtibos
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Development of a ReaxFF Reactive Force Field for Fe/Cr/O/S and Application to Oxidation of Butane over a Pyrite-Covered Cr<sub>2</sub>O<sub>3</sub> Catalyst
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Maqola20158 iqtibos
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A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
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Glycyrrhiza glabra leaves extract as a green corrosion inhibitor for mild steel in 1 M hydrochloric acid solution: Experimental, molecular dynamics, Monte Carlo and quantum mechanics study
Eiman Alibakhshi, Mohammad Ramezanzadeh, Ghasem Bahlakeh +3
Maqola20187 iqtibos
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Myristica fragrans extract as an eco-friendly corrosion inhibitor for mild steel in 0.5 M H2SO4 solution
Rajesh Haldhar, Dwarika Prasad, Akhil Saxena
Maqola20187 iqtibos
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DL-FIND: An Open-Source Geometry Optimizer for Atomistic Simulations
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Maqola20097 iqtibos
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Extension of the D3 dispersion coefficient model
Eike Caldeweyher, Christoph Bannwarth, Stefan Grimme
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Generating Efficient Quantum Chemistry Codes for Novel Architectures
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Maqola20126 iqtibos
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Inhibition performance of Glycine max, Cuscuta reflexa and Spirogyra extracts for mild steel dissolution in acidic medium: Density functional theory and experimental studies
Dakeshwar Kumar Verma, Fahmida Khan, Indra Bahadur +4
Maqola20185 iqtibos
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Development of different chain lengths ionic liquids as green corrosion inhibitors for oil and gas industries: Experimental and theoretical investigations
Rajesh Haldhar, Chaitany Jayprakash Raorane, Vivek Kumar Mishra +3
Maqola20225 iqtibos
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A combined experimental and theoretical study of green corrosion inhibition of mild steel in HCl solution by aqueous Citrullus lanatus fruit (CLF) extract
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Maqola20194 iqtibos
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Isopentyltriphenylphosphonium bromideionic liquid as a newly effective corrosion inhibitor on metal-electrolyte interface in acidic medium: Experimental, surface morphological (SEM-EDX & AFM) and computational analysis
Madhusudan Goyal, Hemlata Vashisht, Ajai Kumar +4
Maqola20204 iqtibos
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Research of Lilium brownii leaves extract as a commendable and green inhibitor for X70 steel corrosion in hydrochloric acid
Xiuli Zuo, Wenpo Li, Wei Luo +5
Maqola20204 iqtibos
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Evaluation of Lavandula mairei extract as green inhibitor for mild steel corrosion in 1 M HCl solution. Experimental and theoretical approach
A. Berrissoul, Aicha Ouarhach, F. Benhiba +5
Maqola20204 iqtibos
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Anticorrosion and rheological properties of Calyptocarpus vialis extract as a green coating for mild steel in 2MH2SO4
Vishwajeet Bachhar, Vibha Joshi, Prayas Singh +4
Maqola20244 iqtibos
ABI