Synthesis and performance of two ecofriendly epoxy resins as a highly efficient corrosion inhibition for carbon steel in 1 M HCl solution: DFT, RDF, FFV and MD approaches

Calculation of vertical and adiabatic ionization potentials for some benzaldehydes using hybrid DFT, multilevel G3B3 and MP2 methods

(2022) Zaki S. Safi et al.   CHEMICAL PHYSICS LETTERS

Insight of development of two cured epoxy polymer composite coatings as highly protective efficiency for carbon steel in sodium chloride solution: DFT, RDF, FFV and MD approaches

(2022) Rachid Hsissou et al.   JOURNAL OF MOLECULAR LIQUIDS

Poly(sodium acrylate) and Poly(acrylic acid sodium) as an eco-friendly corrosion inhibitor of mild steel in normal hydrochloric acid: experimental, spectroscopic and theoretical approach

(2021) A. Ouass et al.   JOURNAL OF APPLIED ELECTROCHEMISTRY

Corrosion inhibition performance of 4-(prop-2-ynyl)- [1,4]-benzothiazin-3-one against mild steel in 1 M HCl solution: Experimental and theoretical studies

(2021) F. Benhiba et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Adsorption properties of coriander seeds: Spectroscopic kinetic thermodynamic and computational approaches

(2021) Lamya Kadiri et al.   JOURNAL OF MOLECULAR LIQUIDS

Review on epoxy polymers and its composites as a potential anticorrosive coatings for carbon steel in 3.5% NaCl solution: Computational approaches

(2021) Rachid Hsissou   JOURNAL OF MOLECULAR LIQUIDS

Probing of Neural Networks as a Bridge from Ab Initio Relevant Characteristics to Differential Scanning Calorimetry Measurements of High‐Energy Compounds

(2021) Nikolay V. Bondarev et al.   Physica Status Solidi-Rapid Research Letters

Performance of two new epoxy resins as potential corrosion inhibitors for carbon steel in 1MHCl medium: Combining experimental and computational approaches

(2021) Naoual El-Aouni et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Investigation of the anti-corrosion properties of Galactomannan as additive in epoxy coatings for carbon steel: Rheological and electrochemical study

(2021) Said Abbout et al.   INORGANIC CHEMISTRY COMMUNICATIONS

Tetrahydropyrimido-Triazepine derivatives as anti-corrosion additives for acid corrosion: Chemical, electrochemical, surface and theoretical studies

(2020) F. Benhiba et al.   CHEMICAL PHYSICS LETTERS

Trifunctional epoxy polymer as corrosion inhibition material for carbon steel in 1.0 M HCl: MD simulations, DFT and complexation computations

(2020) Rachid Hsissou et al.   INORGANIC CHEMISTRY COMMUNICATIONS

Evaluation of corrosion inhibition performance of phosphorus polymer for carbon steel in [1 M] HCl: Computational studies (DFT, MC and MD simulations)

(2020) Rachid Hsissou et al.   Journal of Materials Research and Technology-JMR&T

Nitro substituent effect on the electronic behavior and inhibitory performance of two quinoxaline derivatives in relation to the corrosion of mild steel in 1 M HCl

(2020) F. Benhiba et al.   JOURNAL OF MOLECULAR LIQUIDS

New Epoxy sugar based glucose derivatives as eco friendly corrosion inhibitors for the carbon steel in 1.0 M HCl: Experimental and theoretical investigations

(2020) M. Rbaa et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Development and potential performance of prepolymer in corrosion inhibition for carbon steel in 1.0 M HCl: Outlooks from experimental and computational investigations

(2020) Rachid Hsissou et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

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

Synthesis and characterization of novel Cu (II) and Zn (II) complexes of 5-{[(2-Hydroxyethyl) sulfanyl] methyl}-8-hydroxyquinoline as effective acid corrosion inhibitor by experimental and computational testings

(2020) M. Rbaa et al.   CHEMICAL PHYSICS LETTERS

Experimental and computational approaches on the pyran derivatives for acid corrosion

(2020) J. Saranya et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Epoxy resins and their zinc composites as novel anti-corrosive materials for copper in 3% sodium chloride solution: Experimental and computational studies

(2020) O. Dagdag et al.   JOURNAL OF MOLECULAR LIQUIDS

Green synthesis of novel carbohydrate polymer chitosan oligosaccharide grafted on d-glucose derivative as bio-based corrosion inhibitor

(2020) M. Rbaa et al.   JOURNAL OF MOLECULAR LIQUIDS

Pivotal Role of Heteroatoms in Improving the Corrosion Inhibition Ability of Thiourea Derivatives

(2020) Dinh Quy Huong et al.   ACS Omega

Synthesis and anticorrosive properties of epoxy polymer for CS in [1 M] HCl solution: Electrochemical, AFM, DFT and MD simulations

(2020) Rachid Hsissou et al.   CONSTRUCTION AND BUILDING MATERIALS

Anticorrosive property of hexafunctional epoxy polymer HGTMDAE for E24 carbon steel corrosion in 1.0 M HCl: gravimetric, electrochemical, surface morphology and molecular dynamic simulations

(2019) Rachid Hsissou et al.   POLYMER BULLETIN

A detailed computational exploration and experimental surface/electrochemical analyses of mild steel functionalized by zinc-aminotris methylene phosphonic acid complex film

(2019) Fatemeh Poshtiban et al.   APPLIED SURFACE SCIENCE

Chitosan based new nanocomposites for corrosion protection of mild steel in aggressive chloride media

(2019) Monika Srivastava et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Improved adhesion, heat resistance, anticorrosion properties of epoxy resins/POSS/methyl phenyl silicone coatings

(2019) Gang Xiong et al.   PROGRESS IN ORGANIC COATINGS

Epoxy pre-polymers as new and effective materials for corrosion inhibition of carbon steel in acidic medium: Computational and experimental studies

(2019) Omar Dagdag et al.   Scientific Reports

Screening the anti-corrosion effect of a hybrid pigment based on zinc acetyl acetonate on the corrosion protection performance of an epoxy-ester polymeric coating

(2018) M.J. Palimi et al.   Journal of the Taiwan Institute of Chemical Engineers

Experimental and Theoretical Studies on Corrosion Inhibition of Niobium and Tantalum Surfaces by Carboxylated Graphene Oxide

(2018) Valbonë Mehmeti et al.   Materials

Anticorrosive Effects of Some Thiophene Derivatives Against the Corrosion of Iron: A Computational Study

(2018) Lei Guo et al.   Frontiers in Chemistry

Synthesis characterization rheological and morphological study of a new epoxy resin pentaglycidyl ether pentaphenoxy of phosphorus and their composite (PGEPPP/MDA/PN)

(2018) Rachid Hsissou et al.   POLYMER BULLETIN

Adsorption and corrosion inhibition properties of 5-amino 1,3,4-thiadiazole-2-thiol on the mild steel in hydrochloric acid medium: Thermodynamic, surface and electrochemical studies

(2017) H. Ouici et al.   JOURNAL OF ELECTROANALYTICAL CHEMISTRY

A computational study on corrosion inhibition performances of novel quinoline derivatives against the corrosion of iron

(2017) Şaban Erdoğan et al.   JOURNAL OF MOLECULAR STRUCTURE

Correlating electronic structure with corrosion inhibition potentiality of some bis-benzimidazole derivatives for mild steel in hydrochloric acid: Combined experimental and theoretical studies

(2015) Alokdut Dutta et al.   CORROSION SCIENCE

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

Why is the dual descriptor a more accurate local reactivity descriptor than Fukui functions?

(2014) Jorge Ignacio Martínez-Araya   JOURNAL OF MATHEMATICAL CHEMISTRY

The Woodward–Hoffmann Rules Reinterpreted by Conceptual Density Functional Theory

(2012) Paul Geerlings et al.   ACCOUNTS OF CHEMICAL RESEARCH

Tuned Range-Separated Hybrids in Density Functional Theory

(2010) Roi Baer et al.   Annual Review of Physical Chemistry

Computer simulation of diffusion of corrosive particle in corrosion inhibitor membrane

(2010) Song-Qing Hu et al.   Computational and Theoretical Chemistry

Chemical Reactivity Descriptors for Ambiphilic Reagents: Dual Descriptor, Local Hypersoftness, and Electrostatic Potential

(2009) Carlos Cárdenas et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Quantum chemical studies on the inhibition of corrosion of copper surface by substituted uracils

(2008) Raafat M. Issa et al.   APPLIED SURFACE SCIENCE