Theoretical evaluation of spirocyclic compounds as green corrosion inhibitors for carbon steel

Experimental and theoretical investigations of two quinolin-8-ol derivatives as inhibitors for carbon steel in 1 M HCl solution

(2022) M. El Faydy et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Exploration of phosphorene as doxorubicin nanocarrier: An atomistic view from DFT calculations and MD simulations

(2022) Razieh Esfandiarpour et al.   COLLOIDS AND SURFACES B-BIOINTERFACES

Investigation of the corrosion of stainless steel, copper and aluminium in sunflower biodiesel solution: Experimental and theoretical approaches

(2022) M. El Hawary et al.   Chemical Data Collections

Experimental and theoretical investigation of corrosion inhibition effect of two 8-hydroxyquinoline carbonitrile derivatives on mild steel in 1 M HCl solution

(2022) M. Oubaaqa et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Synthesis, characterization, and evaluation of xanthene derivative as highly effective, nontoxic corrosion inhibitor for mild steel immersed in 1 M HCl solution

(2021) Nadia Arrousse et al.   Journal of the Taiwan Institute of Chemical Engineers

Simple preparation and characterization of novel 8-Hydroxyquinoline derivatives as effective acid corrosion inhibitor for mild steel: Experimental and theoretical studies

(2020) M. Rbaa et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Recent developments in the general atomic and molecular electronic structure system

(2020) Giuseppe M. J. Barca et al.   JOURNAL OF CHEMICAL PHYSICS

Adsorption behavior of pristine, Al-, and Si-doped carbon nanotubes upon 5-fluorouracil

(2020) Mohammad Yahyavi et al.   CHEMICAL PHYSICS LETTERS

Preparation and anti-corrosion activity of novel 8-hydroxyquinoline derivative for carbon steel corrosion in HCl molar: Computational and experimental analyses

(2020) Z. Rouifi et al.   JOURNAL OF MOLECULAR LIQUIDS

An experimental-coupled empirical investigation on the corrosion inhibitory action of 7-alkyl-8-Hydroxyquinolines on C35E steel in HCl electrolyte

(2020) M. El Faydy et al.   JOURNAL OF MOLECULAR LIQUIDS

Investigation of host-guest interactions between polyester dendrimers and ibuprofen using density functional theory (DFT)

(2020) Sekineh Bazyari-Delavar et al.   Computational and Theoretical Chemistry

Radical‐Mediated Non‐Dearomative Strategies in Construction of Spiro Compounds

(2020) R. Pawlowski et al.   ADVANCED SYNTHESIS & CATALYSIS

Theoretical study on the Al-doped biphenylene nanosheets as NO sensors

(2020) Mohammad Reza Hosseini et al.   CHEMICAL PHYSICS LETTERS

Experimental and computational investigations on the anti-corrosive and adsorption behavior of 7-N,N’-dialkyaminomethyl-8-Hydroxyquinolines on C40E steel surface in acidic medium

(2020) Mohamed El Faydy et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Density functional theory evaluation of pristine and BN-doped biphenylene nanosheets to detect HCN

(2019) Razieh Esfandiarpour et al.   JOURNAL OF MOLECULAR MODELING

Synthesis of Multifunctional Spirocyclic Azetidines and Their Application in Drug Discovery

(2018) Alexander A. Kirichok et al.   CHEMISTRY-A EUROPEAN JOURNAL

Organic corrosion inhibitors for industrial cleaning of ferrous and non-ferrous metals in acidic solutions: A review

(2018) Madhusudan Goyal et al.   JOURNAL OF MOLECULAR LIQUIDS

Application of organocatalysis in bioorganometallic chemistry: asymmetric synthesis of multifunctionalized spirocyclic pyrazolone–ferrocene hybrids as novel RalA inhibitors

(2018) Yuehua Zhang et al.   Organic Chemistry Frontiers

Sulfur and phosphorus heteroatom-containing compounds as corrosion inhibitors: An overview

(2018) Chandrabhan Verma et al.   HETEROATOM CHEMISTRY

Influence of dendrimer surface chemistry and pH on the binding and release pattern of chalcone studied by molecular dynamics simulations

(2018) Farideh Badalkhani-Khamseh et al.   JOURNAL OF MOLECULAR RECOGNITION

Atomistic computer simulations on multi-loaded PAMAM dendrimers: a comparison of amine- and hydroxyl-terminated dendrimers

(2017) Farideh Badalkhani-Khamseh et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Carbon steel corrosion: a review of key surface properties and characterization methods

(2017) Deepak Dwivedi et al.   RSC Advances

Glucose-derived spiro-isoxazolines are anti-hyperglycemic agents against type 2 diabetes through glycogen phosphorylase inhibition

(2016) David Goyard et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

The utilization of spirocyclic scaffolds in novel drug discovery

(2016) Ya-Jun Zheng et al.   Expert Opinion on Drug Discovery

Experimental and theoretical studies on the corrosion inhibition of copper by two indazole derivatives in 3.0% NaCl solution

(2016) Yujie Qiang et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

COMPASS II: extended coverage for polymer and drug-like molecule databases

(2016) Huai Sun et al.   JOURNAL OF MOLECULAR MODELING

Density functional theory and molecular dynamics simulation study on corrosion inhibition performance of mild steel by mercapto-quinoline Schiff base corrosion inhibitor

(2015) Sourav Kr. Saha et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Calculation of diffusion coefficient of long chain molecules using molecular dynamics

(2015) Tanmoy Chakraborty et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Corrosion inhibition effect of spiropyrimidinethiones on mild steel in 15% HCl solution: insight from electrochemical and quantum studies

(2015) M. Yadav et al.   RSC Advances

Experimental and theoretical studies of 2-amino thiazole as an inhibitor for carbon steel corrosion in hydrochloric acid

(2014) F. Y. Cui et al.   MATERIALS AND CORROSION-WERKSTOFFE UND KORROSION

Molecular dynamics simulation of interaction between benzotriazoles and cuprous oxide crystal

(2010) JianPing Zeng et al.   Computational and Theoretical Chemistry

Chiral Diphosphine and Monodentate Phosphorus Ligands on a Spiro Scaffold for Transition-Metal-Catalyzed Asymmetric Reactions

(2008) Jian-Hua Xie et al.   ACCOUNTS OF CHEMICAL RESEARCH

The inhibitive effect of some tetrazole derivatives towards Al corrosion in acid solution: Chemical, electrochemical and theoretical studies

(2008) K.F. Khaled et al.   MATERIALS CHEMISTRY AND PHYSICS