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Иш: Computational insights into the corrosion inhibition mechanism of hyoscyamine and zonisamide on mild steel: A combined DFT, MD, and NCI analysis

Multiwfn: A multifunctional wavefunction analyzer
Tian Lu, Feiwu Chen
Мақола2011110 иқтибос
ABI
VMD: Visual molecular dynamics
William Humphrey, Andrew Dalke, Klaus Schulten
Мақола199677 иқтибос
ABI
Surface interaction and inhibition mechanism prediction of Aciclovir molecule on Fe (110) using computational model based on DFT, RDF and MD simulation
Valentine Chikaodili Anadebe, F. E. Abeng, Abhinay Thakur +4
МақолаMetal-Organic Frameworks: Synthesis and ApplicationsComputational and Theoretical Chemistry202412 иқтибос
ABI
Plant Extracts as Green Corrosion Inhibitors for Different Metal Surfaces and Corrosive Media: A Review
Alan Miralrio, Araceli Espinoza-Vázquez
Шарҳ мақола202011 иқтибос
ABI
Molecular insights into the corrosion inhibition mechanism of omeprazole and tinidazole: a theoretical investigation
Savaş Kaya, Hassane Lgaz, Abhinay Thakkur +4
Мақола20237 иқтибос
ABI
Synthesis, Electrochemical, Morphological, Computational and Corrosion Inhibition Studies of 3-(5-Naphthalen-2-yl-[1,3,4]oxadiazol-2-yl)-pyridine against Mild Steel in 1 M HCl
Deepak Sharma, Abhinay Thakur, Manish Kumar Sharma +4
Мақола20237 иқтибос
ABI
Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: An overview
I.B. Obot, Digby D. Macdonald, Zuhair M. Gasem
Мақола20156 иқтибос
ABI
Okra leaves extract as green corrosion inhibitor for steel in sulfuric acid: Gravimetric, electrochemical, and surface morphological investigations
Shaymaa Abbood Hussein, Anees A. Khadom
Мақола20245 иқтибос
ABI
Physisorption or chemisorption: Insight from AI computing model based on DFT, MC/MD-simulation for prediction of MOF-based inhibitor adsorption on Cu in brine solution
Nkechinyere Amaka Chikaodili, Cyril Sunday Ume, Patrick Chukwudi Nnaji +6
Мақола20245 иқтибос
ABI
Herbal expired drug bearing glycosides and polysaccharides moieties as green and cost-effective oilfield corrosion inhibitor: Electrochemical and computational studies
Khaled Zakaria, Mohamed Abbas, Mahmoud A. Bedair
Мақола20224 иқтибос
ABI
Examination of the main chemical components of essential oil of Syzygium aromaticum as a corrosion inhibitor on the mild steel in 0.5 M HCl medium
Anissa Acidi, Amel Sedik, Aicha Rizi +10
Мақола20234 иқтибос
ABI
Experimental and detailed DFT/MD simulation of α-aminophosphonates as promising corrosion inhibitor for XC48 carbon steel in HCl environment
Ouahiba Moumeni, Mouna Mehri, Rachida Kerkour +9
Мақола20234 иқтибос
ABI
Pharmaceuticals for materials protection: Experimental and computational studies of expired closantel drug (C22H14Cl2I2N2O2) as a potent corrosion inhibitor
Mohsen Saket Bejandi, Mohammad Hossein Behroozi, Mohammad Khalili +3
Мақола20234 иқтибос
ABI
Modified nano-lignin as a novel biomass-derived corrosion inhibitor for enhanced corrosion resistance of carbon steel
Zhigang Luo, Yi Zhang, Huan Wang +4
Мақола20234 иқтибос
ABI
A convenient synthesis, electrochemical profiling, and morphological studies of a pyridine-based 1,3,4-oxadiazole hybrid: A promising study for corrosion mitigation of mild steel in strongly acidic environment
P.L. Sharma, Abhinay Thakur, Manish Kumar Sharma +8
Мақола20234 иқтибос
ABI
Eco-friendly anti-corrosion performance of chitosan modified with fused heterocyclic compound on mild steel in acidic medium
Sherief A. Al Kiey, Reham A. Mohamed‐Ezzat, Sawsan Dacrory
Мақола20243 иқтибос
ABI
Effectiveness of expired estradiol valerate drug molecule as a corrosion inhibitor for mild steel in 1 M HCl medium: Waste utilization perspective
Nadra Belhadj, Radouane Maizia
Мақола20243 иқтибос
ABI
Corrosion Inhibition of Ordinary Steel in 5.0 M HCl Medium by Benzimidazole Derivatives: Electrochemical, UV–Visible Spectrometry, and DFT Calculations
Omar Fergachi, F. Benhiba, Mohamed Rbaa +6
Мақола20193 иқтибос
ABI
Computational and experimental investigation of anticorrosive potential of Panthenol for mild steel in 1 M hydrochloric acid solution
Shveta Sharma, Sourav Kr. Saha, Namhyun Kang +4
Мақола20243 иқтибос
ABI
Effect of spinach (Spinacia oleracea) leaf extract on the aluminum (Al) as a green corrosion inhibitor in HCl medium
Heri Septya Kusuma, Geza Satya Danera, A. Maulana +5
Мақола20243 иқтибос
ABI
Benzothiazolylhydrazine azomethine derivatives for efficient corrosion inhibition of mild steel in acidic environment: Integrated experimental and density functional theory cum molecular dynamics simulation approach
Sourav Kr. Saha, Manilal Murmu, Naresh Chandra Murmu +1
Мақола20222 иқтибос
ABI
In Silico Approaches for Some Sulfa Drugs as Eco-Friendly Corrosion Inhibitors of Iron in Aqueous Medium
Soukaina Alaoui Mrani, Nаdiа Аrrousse, Rajesh Haldhar +5
Мақола20222 иқтибос
ABI
Molecular structure, tautomer's, reactivity and inhibition studies on 6-Methyl-2-thiouracil for mild steel corrosion in aqueous HCl (1.00 M): Experimental and Theoretical Studies
Mahmoud A. Bedair, Ahmed M. Abuelela, Wajdi M. Zoghaib +1
Мақола20212 иқтибос
ABI
Expired terazosin as environmentally safe corrosion inhibitor for 1018 carbon steel in 1 M HCl solution: Experimental and computational studies
A.F. Shoair, Mariem M. Motawea, Abdulraheem S. A. Almalki +3
Мақола20232 иқтибос
ABI
Schiff bases and their metal Complexes: A review on the history, synthesis, and applications
Chérifa Boulechfar, Hana Ferkous, Amel Delimi +7
Шарҳ мақола20232 иқтибос
ABI