All Stories

  1. Unveiling B3O3 Nanosheets as Effective Sensors for SF4 and SF6 Gases: DFT, QTAIM, and NBO Insights
  2. Diglycidyl benzylidene-carbamide as a high-performance protective agent for metal in acidic environments: Experimental and computational study
  3. Medicinal fungi-derived secondary metabolites as potential inhibitors of DNA polymerase beta: a computational approach against liver cancer
  4. Caging the uranyl ion: quantum insights into cryptophane-111 hosting
  5. Semi-Quantitative Characterization of Volatile Organic Compounds in Indoor and Outdoor Air Using Passive Samplers: A Case Study of Milan, Italy
  6. On the effect of conceptual density functional theoretical descriptors in the inhibition of acetylcholinesterase enzyme: Gallic acid derivatives
  7. DFT analysis of fenethylline (Captagon): Investigating its interaction with graphene as a potential adsorbent
  8. Promising corrosion resistance of mild steel, copper, and aluminum in hydrochloric acid solution using an environmentally friendly corrosion inhibitor
  9. Rapid and sensitive electrochemical determination of flavonoids in Albanian wines using zeolite X and Prrenjasi clay as carbon paste modifiers
  10. Multi-Technique assessment of zaleplon for corrosion control in mild steel using 1M HCl media: A study incorporating molecular dynamics, electrochemical testing, and morphological evaluation
  11. Cellulose functionalized with amino and mercapto chelating groups for adsorbing Hg(II) from wastewater: Design, synthesis and theoretical studies
  12. Experimental, density functional theory, molecular docking and ADMET analyses on the role of different plant extracts of Aronia melanocarpa (Michx) Elliot species on acetylcholinesterase enzyme activity
  13. 2-Amino-6-methylbenzothiazole as corrosion inhibitor for low carbon steel in acidic solution: Experimental and theoretical studies
  14. Anticorrosion and rheological properties of Calyptocarpus vialis extract as a green coating for mild steel in 2MH2SO4
  15. Computational discovery of glioblastoma multiforme inhibitors from medicinal fungi: An integrated approach combining virtual screening, DFT, and toxicity profiling
  16. Corrosion inhibition and in silico toxicity assessment of imidazo[1,2-a]pyrimidine-Schiff base derivatives as effective and environmentally friendly corrosion inhibitors for mild steel
  17. Experimental and theoretical evaluation of the corrosion inhibition performance of two benzimidazole derivatives for low carbon steel in acidic solution
  18. Exploring protective mechanisms with triazine ring and hydroxyethyl groups: Experimental and theoretical insights
  19. 3D-QSAR, Pharmacophore Modeling, ADMET and DFT Studies of Halogenated Conjugated Dienones as Potent MAO-B Inhibitors
  20. Assessment of volatile organic compounds in indoor environments across North Macedonia and Kosovo using passive sampling
  21. Enhanced corrosion protection of copper in saline environments using bio-nanocomposite coatings based on chitosan and chitosan Schiff base
  22. From parasitic life to health-promoting applications - A versatile goldmine discovered in nature's secret treasure chest: Orobanche nana
  23. Seaweed boards as value-added natural waste product for insulation and building materials
  24. Synthesis, structural characterization, thermal analysis and anticorrosion properties of novel AZO-based imidazo[1,2-a]pyridine derivatives: Experimental study and theoretical approaches
  25. Exploring Basil Essential Oil as a Green Corrosion Inhibitor of Mild Steel in 1.0 M HCl: Experimental and Theoretical Investigations
  26. Synthesis of sustainable heterocyclic aryl sulfonamide derivatives: computational studies, molecular docking, and antibacterial assessment
  27. New triglycidyl ether triazine as a protective agent for metal: Comprehensive analysis
  28. To investigate the anticorrosive properties of Ageratina adenophora extract as a green inhibitor for SS-410 in hydrochloric acid solution: Experimental and computational studies.
  29. Synthesis and investigation of novel sulfonamide-1,2,3-triazoles corrosion inhibitors for E24 steel in 1 M HCl solution: A combination of modeling and experimental approaches
  30. Elaboration and investigation of formulated polymer composites as some potential anticorrosion coatings for brass surface in 3.5% NaCl solution: theoretical approaches
  31. New solvated Mo(VI) complexes of isatin based asymmetric bisthiocarbohydrazones as potent bioactive agent: synthesis, DFT-molecular docking studies, biological activity evaluation and crystal structures
  32. Synthesis, Characterisation, and Corrosion Inhibition Performance of a β-Cyclodextrin/Melamine Supramolecular Complex on St20 Steel in Acidic Media
  33. Correction: Exploring the Potential of Senna occidentalis Plant Extract as a Bio-anti-corrosive Agent for Steel in a Sulfuric Acid Environment: A Study of Electrochemical, Surface, and Computational Aspects
  34. Exploring the mechanism of nerve agent (Tabun and Sarin) adsorption on carbon nanocones: Computational insights
  35. Investigation of a novel hexafunctional epoxy resin as an anti-corrosion agent for carbon steel in an HCl environment
  36. Alkaloid extract of seed Citrullus colocynthis as novel green inhibitor for mild steel corrosion in one molar HCl acid solution: DFT and MC/MD approaches
  37. Exploring the Adsorption Mechanism of Novel Biscoumarin Derivatives as Corrosion Inhibitors for Stainless Steel in 2 M H2SO4 Medium: An Integrated Approach Combining Electrochemical and Theoretical Studies
  38. Experimental accompanied with computational (atomic/electronic)-level simulation investigations of Polygonum cuspidatum root extract as sustainable corrosion inhibitor for mild steel in aggressive corrosive media
  39. Water soluble curcumin with alkyl sulfonate moiety: Synthesis, and anticancer efficacy
  40. Exploring the Potential of Senna occidentalis Plant Extract as a Bio-anti-corrosive Agent for Steel in a Sulfuric Acid Environment: A Study of Electrochemical, Surface, and Computational Aspects
  41. Unraveling the corrosion inhibition behavior of prinivil drug on mild steel in 1M HCl corrosive solution: insights from density functional theory, molecular dynamics, and experimental approaches
  42. Efficiency of alcohol and ester-imidazole in preventing mild steel corrosion: An integrated approach combining experimental and computational studies
  43. Innovative phosphorus-containing epoxy resins: A new approach to acidic corrosion protection
  44. Synthesis and evaluation of phosphoric ester pyrogallic acid hexaglycidyl ether as a green corrosion protective agent in the gas and oil industries
  45. Challenging Corrosion: The Innovative, Green and Effective β- CD/ME Supramolecular Complex
  46. Ab initio exploration of modified carbon nanotubes as potential corrosion inhibitors
  47. An appropriate approach and computational studies for evaluating metal shielding features using diazenyl naphthalen analogues as sustainable corrosion inhibitors
  48. An Experimental Investigation Linked Detailed-Level Computer Modeling on the Corrosion Inhibitory Activity of 2-((1-benzyl-1H-1,2,3-triazol-4-yl) methyl) benzo(d)isothiazol-3(2H)-one 1,1-dioxide on E24 Steel in a 1 M HCl Environment
  49. New Hexafunctional Epoxy Prepolymer: Innovation Structure for Corrosion Inhibition
  50. Synthesis and study of the thermal and rheological behavior of carbon nanotubes reinforced new epoxy nanocomposite
  51. The impact of halogen substitution on the corrosion inhibition of imidazothiazole derivatives for mild steel in corrosive media (Part A)
  52. Electrochemical and theoretical studies on a bioactive Juniperus oxycedrus essential oil as a potential and ecofriendly corrosion inhibitor for mild steel in 1.0 M HCl environment
  53. Use of a novel low-cost adsorbent PANI@Clay composite to effectively remove OG dye from wastewater: Insights from isotherm kinetic and thermodynamic modeling, investigation using density functional theory DFT/MC/MD
  54. Adsorption of Methylene Blue Dye and Analysis of Two Clays: A Study of Kinetics, Thermodynamics, and Modeling with DFT, MD, and MC Simulations
  55. Chrysophyllum Albidum extract as a new and green protective agent for metal
  56. Experimental and computational studies on the corrosion inhibition potential of a novel synthesized thiophene and pyridine-based 1,3,4-oxadiazole hybrid against mild steel corrosion in 1 N HCl
  57. New Azo Derivative of β‐Diketones and Its Cu(II), Co(II) Complexes: Synthesis, Theoretical Study and Biological Activity
  58. Chalcone-based novel mono and bisthiocarbohydrazone: synthesis, crystal structure, antioxidant property and theoretical evaluation
  59. Corrigendum to “Novel Silicon-based schiff-base as corrosion inhibitor for anti-corrosion behavior of API 5L Grade B in 1M HCl” [Mater. Chem. Phys. 311 (2024) 128499]
  60. Mechanistic insights into the corrosion inhibition of mild steel by eco-benign Asphodelus Tenuifolius aerial extract in acidic environment: Electrochemical and computational analysis
  61. Rosmarinus officinalis l. Oil as an Eco-Friendly corrosion inhibitor for mild steel in acidic Solution: Experimental and computational studies
  62. Synthesis and Characterization of New Macromolecular Epoxy Resin as an Effective Corrosion Inhibitor for C38 Steel in 1 M HCl Medium: Electrochemical Insights, Surface Morphological and Computational Approaches
  63. Performance of Artemisia absinthium as an Ecological Corrosion Inhibitor in the Industrial Pickling Process
  64. Effect of OH position on adsorption behavior of Schiff-base derivatives in corrosion inhibition of carbon steel in 1 M HCl
  65. Experimental and computational insights into destruction protection of E24 carbon metal by new trifunctional sulfur-phosphorus epoxy polymer
  66. Inhibition performances of new pyrazole derivatives against the corrosion of C38 steel in acidic medium: Computational study
  67. Integrating experimental and theoretical studies in the development of a novel alginate-based bio-composite for copper anticorrosion in 3.5 % NaCl environments
  68. Reagentless impedimetric immunosensor for monitoring of methotrexate in human blood serum using multiwalled carbon nanotube@polypyrrole/polytyramine film electrode
  69. Synthesis, structural characterization and anticorrosion properties of a new hexafunctional epoxy prepolymer based on urea and phosphorus trichloride for E24 carbon steel in 1.0 M HCl
  70. New Hexafunctional Epoxy Prepolymer: Innovation structure in corrosion inhibition
  71. 2-Amino-6-Methylbenzothiazole as Corrosion Inhibitor for Low Carbon Steel in Acidic Solution: Experimental and Theoretical Studies
  72. Novel Silicon-based schiff-base as corrosion inhibitor for anti-corrosion behavior of API 5L Grade B in 1M HCl
  73. Study of new phosphorus-sulfur epoxy polymer for CS anticorrosion in HCl solution: Experimental and theoretical investigations
  74. One-pot synthesis of epoxy resin composite: thermal, rheological and Monte Carlo investigations
  75. Experimental and theoretical studies on (2E,5E)-2,5-bis(2-methoxybenzylidene)cyclopentanone: Structural, electrochemical, spectroscopic features, solid-state interactions, molecular docking and adsorption studies onto 2D carbon nanomaterials
  76. Novel saccharin derivatives are inhibitors for carbon steel corrosion in 1 M HCl: electrochemical, thermodynamic and theoretical assessment
  77. Natural Illitic Clay as an Eco-Friendly Adsorbent for Removal of Cu (II) Ions from Aqueous Solution: Experimental Study, Data Modeling, and Monte Carlo Simulation
  78. Surface Modification of Lignite with Alkyl and Mixed Alkyl‐Aryl Films Generated from an Aryl Diazonium Salt and Alkyl Halides: Experimental Results and Theoretical Analyses
  79. Assessing the potentials of free base and gallium metalated tertbutylphthalocyanines as aluminium corrosion inhibitors
  80. An in-depth on the high corrosion resistance of carbon steel in an acidic solution by a novel functionalized graphene oxide with oxime derivative via cutting-edge experimental characterization and computational modeling
  81. Density functional theory and quantum mechanics studies of 2D carbon nanostructures (graphene and graphene oxide) for Lenalidomide anticancer drug delivery
  82. Hybrid epoxy/Br inhibitor in corrosion protection of steel: experimental and theoretical investigations
  83. New Zwitterionic Imidazolones with Enhanced Water Solubility and Bioavailability: Synthesis, Anticancer Activity, and Molecular Docking
  84. Synthesis of β-Tricalcium Phosphate/PEG 6000 Composite by Novel Dissolution/Precipitation Method: Optimization of the Adsorption Process Using a Factorial Design—DFT and Molecular Dynamic
  85. Synthesis of hydroxyapatite/polyethylene glycol 6000 composites by novel dissolution/precipitation method: optimization of the adsorption process using a factorial design: DFT and molecular dynamic
  86. Application of Taguchi method, response surface methodology, DFT calculation and molecular dynamics simulation into the removal of orange G and crystal violet by treated biomass
  87. Comparative study of the performance and inhibitory efficiency of two new organic heterocyclic in the chemical industry
  88. Cyclocondensation of 3,4-diaminobenzophenone with glyoxal: Synthesis, X-ray structure, density functional theory calculation and molecular docking studies
  89. Electrochemical study of three new morpholine-based inhibitors for P460N steel in 3.5 wt. % NaCl solution
  90. Physicochemical Characterization of Clay and Study of Cationic Methylene Blue Dye Adsorption
  91. Experimental and Theoretical Approach of Evaluating Chitosan Ferulic Acid Amide as an Effective Corrosion Inhibitor
  92. Development of new polymer composites formulated by glass as a potential protective coating for 3D printed H13 steel in acidic medium: DFT, MC and MD computational
  93. A critical view of computational chemistry methods in understanding corrosion inhibition of 6-chloro-2-phenylimidazo[1,2-b]pyridazine in 1 M and 5 M HCl
  94. Electrochemical, surface morphological and computational evaluation on carbohydrazide Schiff bases as corrosion inhibitor for mild steel in acidic medium
  95. Biological evaluation and in silico molecular docking studies of Abies cilicica (Antoine & Kotschy) Carrière) resin
  96. Engineering of layered iron vanadate nanostructure for electrocatalysis: Simultaneous detection of methotrexate and folinic acid in blood serum
  97. Exploratory Experiments Supported by Modeling Approaches for TGEEA New Epoxy Resin as a Contemporary Anti-corrosion Material for C38 Steel in 1.0 M HCl
  98. Going green: Stachys scardica H. leaves extract derived from supercritical CO2 extraction as an effective corrosion inhibitor for mild steel in 1 M HCl media
  99. Diazenyl derivatives as efficient corrosion inhibitors for mild steel in HCl medium: Gravimetric, electrochemical and computational approach
  100. Selective Nsp2‐ and Csp2‐ Photografting of Au‐Surface by Aryldiazonium Salts and Arylazo Sulfonates
  101. A combined experimental and theoretical approach effect of a benzimidazolium salt as a new corrosion inhibitor on mild steel in HCl solution
  102. Supramolecular corrosion protection: Eco-friendly synthesis and efficacy of a β-cyclodextrin/o-phenylenediamine complex
  103. Changes in arginine metabolism in advanced Alzheimer's patients: Experimental and theoretical analyses
  104. Cellulose based polyurethane with amino acid functionality: Design, synthesis, computational study and application in wastewater purification
  105. Computational insights into the adsorption mechanisms of anionic dyes on the rutile TiO2 (1 1 0) surface: Combining SCC-DFT tight binding with quantum chemical and molecular dynamics simulations
  106. Convolvulus microphyllus Extract as a Green, Effective, and Affordable Corrosion Inhibitor: Theoretical Calculations and Experimental Studies
  107. A Combined Experimental and Computational (DFT, RDF, MC and MD) Investigation of Epoxy Resin as a Potential Corrosion Inhibitor for Mild Steel in a 0.5 M H2SO4 Environment
  108. Modeling of tenofovir disoproxil fumarate decontamination using sodium alginate-encapsulated activated carbon: Molecular dynamics, monte carlo and density functional theory
  109. Synthesis, characterization, and corrosion inhibition activity of new imidazo[1.2-a]pyridine chalcones
  110. Simultaneous inhibition of natural gas hydrate formation and CO2/H2S corrosion for flow assurance inside the oil and gas pipelines
  111. Quinoxaline Derivatives as Newly Acid Corrosion Inhibitors for Mild Steel: Synthesis, Electrochemical, and Theoretical Investigations
  112. Anti-Corrosion Coating Formation by a Biopolymeric Extract of Artemisia herba-alba Plant: Experimental and Theoretical Investigations
  113. Study on Thermal Conductivity and Mechanical Properties of Cyclotriphosphazene Resin-Forced Epoxy Resin Composites
  114. Essential Oil of Origanum vulgare as a Green Corrosion Inhibitor for Carbon Steel in Acidic Medium
  115. Optimization of the adsorption of lead (II) by hydroxyapatite using a factorial design
  116. Linagliptin drug molecule as corrosion inhibitor for mild steel in 1 M HCl solution: Electrochemical, SEM/XPS, DFT and MC/MD simulation approach
  117. Corrosion inhibition of SS 316L by organic compounds: Experimental, molecular dynamics, and conceptualization of molecules–surface bonding in H2SO4 solution
  118. Assessment of Physico-Chemical, Microbiological Parameters and Diatom Algae of Badovc Lake, Kosovo
  119. Coco Monoethanolamide Surfactant as a Sustainable Corrosion Inhibitor for Mild Steel: Theoretical and Experimental Investigations
  120. Development of different chain lengths ionic liquids as green corrosion inhibitors for oil and gas industries: Experimental and theoretical investigations
  121. Investigation of the anionic polyacrylamide as a potential adsorbent of crystal violet dye from aqueous solution: Equilibrium, kinetic, thermodynamic, DFT, MC and MD approaches
  122. Unraveling the electronic influence and nature of covalent bonding of aryl and alkyl radicals on the B12N12 nanocage cluster
  123. The quaternary ammonium salts as corrosion inhibitors for X65 carbon steel under sour environment in NACE 1D182 solution: Experimental and computational studies
  124. Advancing the Understanding of Nerve Agent (Tabun and Sarin) Absorption on Carbon Nanocones Through Cutting-Edge Computational Studies
  125. New Hexafunctional Epoxy Prepolymer: Innovation Structure in Corrosion Inhibition
  126. Synergistic Inhibitive Effect of a Hybrid Zinc Oxide-Benzalkonium Chloride Composite on the Corrosion of Carbon Steel in a Sulfuric Acidic Solution
  127. Synergistic inhibitive effect of a hybrid zinc oxide-benzalkonium chloride composite on the corrosion of carbon steel in a sulfuric acidic solution
  128. Development of Highly Efficient Dual-Purpose Gas Hydrate and Corrosion Inhibitors for Flow Assurance Application: An Experimental and Computational Study
  129. Novel Biosurfactants for Effective Inhibition of Gas Hydrate Agglomeration and Corrosion in Offshore Oil and Gas Pipelines
  130. Synthesis of new halogenated compounds based on 8-hydroxyquinoline derivatives for the inhibition of acid corrosion: Theoretical and experimental investigations
  131. Synthesis, physicochemical properties, theoretical and electrochemical studies of tetraglycidyl methylenedianiline
  132. Experimental and theoretical study of Sodium Cocoyl Glycinate as corrosion inhibitor for mild steel in hydrochloric acid medium
  133. Essential oil of Dysphania ambrosioides as a green corrosion inhibitor for mild steel in HCl solution
  134. Novel sucrose derivative as a thermally stable inhibitor for mild steel corrosion in 15% HCl medium: An experimental and computational study
  135. 4,4’-(((2,2-Dimethylpropane-1,3-Diyl)Bis(Azanediyl)Bis(Methylene) Bis(2-Methoxyphenol) as New Reduced Form of Schiff Base for Protecting API 5L Grade B in 1 M HCl
  136. The Effect of new reduced form of Schiff-base Ligands on corrosion inhibition of API 5L in seawater
  137. Comparison the anticorrosion behavior of three symmetrical Schiff-base ligands: experimental and theoretical studies
  138. Experimental and theoretical studies on protecting steel against 0.5 M H2SO4 corrosion by new schiff base
  139. Surface modification of hydroxyapatite with enzyme-catalyzed reaction: Computation-supported experimental studies
  140. Eco-Friendly Synthesis and Characterization of Double-Crossed Link 3D Graphene Oxide Functionalized With Chitosan for Adsorption of Sulfamethazine From Aqueous Solution: Experimental and DFT Calculations
  141. Experimental and theoretical investigations of new Schiff base compound adsorption on aluminium in 1 M HCl
  142. Removal of Methyl Violet from Aqueous Solution by Adsorption onto Halloysite Nanoclay: Experiment and Theory
  143. Multidimensional analysis for corrosion inhibition by new pyrazoles on mild steel in acidic environment: Experimental and computational approach
  144. The adsorption of Tenofovir in aqueous solution on activated carbon produced from maize cobs: Insights from experimental, molecular dynamics simulation, and DFT calculations
  145. Investigation of Two Corrosion Inhibitors in Acidic Medium Using Weight Loss, Electrochemical Study, Surface Analysis, and Computational Calculation
  146. Corrosion Inhibition of Carbon Steel in 0.5 M H2SO4 by New Reduced Schiff Base Ligand
  147. Cellulose polymers with β-amino ester pendant group: design, synthesis, molecular docking and application in adsorption of toxic metals from wastewater
  148. Zeolite 4A as a Jammer of Bacterial Communication in Chromobacterium Violaceum and Pseudomonas Aeruginosa
  149. Sofosbuvir adsorption onto activated carbon derived from argan shell residue: Optimization, kinetic, thermodynamic and theoretical approaches
  150. Monte Carlo simulation, molecular dynamic simulation, quantum chemical calculation and anti-corrosive behaviour of Citrus limetta pulp waste extract for stainless steel (SS-410) in acidic medium
  151. Anti-corrosion behavior of two N2O4 Schiff-base ligands: Experimental and theoretical studies
  152. Inhibition effect of N-propargyl saccharin as corrosion inhibitor of C38 steel in 1 M HCl, experimental and theoretical study
  153. Removal of cationic dye from coloured water by adsorption onto hematite-humic acid composite: Experimental and theoretical studies
  154. New epoxy resin as a corrosion inhibitor for the protection of carbon steel C38 in 1M HCl. experimental and theoretical studies (DFT, MC, and MD)
  155. Experimental and theoretical study for removal of trimethoprim from wastewater using organically modified silica with pyrazole-3-carbaldehyde bridged to copper ions
  156. Contribution to the corrosion inhibition of Cu–30Ni copper–nickel alloy by 3-amino-1,2,4-triazole-5-thiol (ATT) in 3% NaCl solution. Experimental and theoretical study (DFT, MC and MD)
  157. Contribution to the corrosion inhibition of Aluminum in 1M HCl by a green inhibition of Pimpinella anisum extract. Experimental and theoretical study (DFT, MC, and MD)
  158. Corrosion inhibition abilities of phytochemicals: a combined computational studies
  159. Theoretical, Equilibrium, Kinetics and Thermodynamic Investigations of Methylene Blue Adsorption onto Lignite Coal
  160. Heterocylcic Based Cucumin: Desin, Synthesis and Anticancer Efficay Against Hela Cells
  161. Which is better for Lindane pesticide adsorption, graphene or graphene oxide? An experimental and DFT study
  162. An Experimental and Theoretical Investigation of the Efficacy of Pantoprazole as a Corrosion Inhibitor for Mild Steel in an Acidic Medium
  163. Epoxy coating as effective anti-corrosive polymeric material for aluminum alloys: Formulation, electrochemical and computational approaches
  164. Oxygen Interactions with Covalently Grafted 2D Nanometric Carboxyphenyl Thin Films—An Experimental and DFT Study
  165. An experimental and theoretical analysis of supercritical carbon dioxide extraction of Cu(II) and Pb(II) ions in the form of dithizone bidentate complexes
  166. Corrosion Inhibition of Ss 316l by Organic Compounds: Experimental, Molecular Dynamics, and Conceptualization of Molecules–Surface Bonding in H2so4 Solution
  167. Fabrication of ceramic monoliths from diatomaceous earth: effects of calcination temperature on silica phase transformation
  168. Experimental and Theoretical Study For Removal of Trimethoprim (TMP) From Wastewater Using Organically Modified Silica With Pyrazole-3-Carbaldehyde Bridged To Copper Ions
  169. In situ Bi/carboxyphenyl-modified glassy carbon electrode as a sensor platform for detection of Cd2+ and Pb2+ using square wave anodic stripping voltammetry.
  170. Insight into the corrosion inhibition of new bis-quinolin-8-ols derivatives as highly efficient inhibitors for C35E steel in 0.5 M H2SO4
  171. Cellulose powder functionalized with phenyl biguanide: Synthesis, cross-linking, metal adsorption, and molecular docking
  172. Ab inito exploration of nanocars as potential corrosion inhibitors
  173. Performance of two epoxy compounds against corrosion of C38 steel in 1 M HCl: Electrochemical, thermodynamic and theoretical assessment
  174. STUDY OF ABSORPTION AND DESORPTION OF BENALAXYL FROM NATURAL AND ACTIVATED BRARI AND DARDHA CLAY
  175. THEORETICAL AND PRACTICAL COMPARATIVE STUDY ON THE USE OF CLAYS FOR THE TREATMENT OF WASTEWATER CONTAMINATED WITH PESTICIDES
  176. Cellulose-Based Hectocycle Nanopolymers: Synthesis, Molecular Docking and Adsorption of Difenoconazole from Aqueous Medium
  177. Corrosion mitigation performance of disodium EDTA functionalized chitosan biomacromolecule - Experimental and theoretical approach
  178. Comparative study of some epoxy polymers based on bisphenolic and aromatic diamines: synthesis, viscosity, thermal properties computational and statistical approaches
  179. 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
  180. Electrochemical, thermodynamic and molecular dynamics studies of some benzoic acid derivatives on the corrosion inhibition of 316 stainless steel in HCl solutions
  181. First principles details into the grafting of aryl radicals onto the free-standing and borophene/Ag(1 1 1) surfaces
  182. Removal of methylene blue dye by adsorption onto Natural Muscovite Clay: experimental, theoretical and computational investigation
  183. Contribution to the corrosion inhibition of C38 steel in 1 M hydrochloric acid medium by a new epoxy resin PGEPPP
  184. A gateway for ion transport on gas bubbles pinned onto solids
  185. DFT, Monte Carlo and molecular dynamics simulations for the prediction of corrosion inhibition efficiency of novel pyrazolylnucleosides on Cu(111) surface in acidic media
  186. Experimental and Theoretical Approach of Evaluating Chitosan Ferulic Acid Amide As An Effective Corrosion Inhibitor
  187. Evaluation of Gloriosa superba seeds extract as corrosion inhibition for low carbon steel in sulfuric acidic medium: A combined experimental and computational studies
  188. New epoxy composite polymers as a potential anticorrosive coatings for carbon steel in 3.5% NaCl solution: Experimental and computational approaches
  189. Ab Inito Exploration of Nanocars as Potential Corrosion Inhibitors
  190. Corrosion Inhibition Study of Mild Steel in an Aqueous Hydrochloric Acid Solution Using Brilliant Cresyl Blue - a Combined Experimental and Monte Carlo Study
  191. Diatomaceous Earth: Characterization, thermal modification, and application
  192. Efficient construction of a redox responsive thin polymer layer on glassy carbon and gold surfaces for voltage-gated delivery applications
  193. Erratum to “Corrosion study of copper in aqueous sulfuric acid solution in the presence of (2E,5E)-2,5-dibenzylidenecyclopentanone and (2E,5E)-bis[(4-dimethylamino)benzylidene]cyclopentanone: Experimental and theoretical study”
  194. Salen type additives as corrosion mitigator for Ni–W alloys: Detailed electronic/atomic‐scale computational illustration
  195. Preparation, characterization, and evaluation of corrosion inhibition efficiency of sodium lauryl sulfate modified chitosan for mild steel in the acid pickling process
  196. Corrosion study of copper in aqueous sulfuric acid solution in the presence of (2E,5E)-2,5-dibenzylidenecyclopentanone and (2E,5E)-bis[(4-dimethylamino)benzylidene]cyclopentanone: Experimental and theoretical study
  197. An experimental-coupled empirical investigation on the corrosion inhibitory action of 7-alkyl-8-Hydroxyquinolines on C35E steel in HCl electrolyte
  198. New pyrazole derivatives as effective corrosion inhibitors on steel-electrolyte interface in 1 M HCl: Electrochemical, surface morphological (SEM) and computational analysis
  199. Simple preparation and characterization of novel 8-Hydroxyquinoline derivatives as effective acid corrosion inhibitor for mild steel: Experimental and theoretical studies
  200. Epoxy resins and their zinc composites as novel anti-corrosive materials for copper in 3% sodium chloride solution: Experimental and computational studies
  201. A theoretical and experimental study of the adsorptive removal of hexavalent chromium ions using graphene oxide as an adsorbent
  202. New Epoxy sugar based glucose derivatives as eco friendly corrosion inhibitors for the carbon steel in 1.0 M HCl: Experimental and theoretical investigations
  203. Designing of phosphorous based highly functional dendrimeric macromolecular resin as an effective coating material for carbon steel in NaCl: Computational and experimental studies
  204. Experimental and Theoretical Study of the Covalent Grafting of Triazole Layer onto the Gold Surface
  205. Electrografting of methylamine through C–H activation or oxidation to give highly aminated surfaces
  206. Experimental, Monte Carlo and Molecular Dynamic Study on Corrosion Inhibition of Mild Steel by Pyridine Derivatives in Aqueous Perchloric Acid
  207. Evaluation of corrosion inhibition performance of phosphorus polymer for carbon steel in [1 M] HCl: Computational studies (DFT, MC and MD simulations)
  208. Trifunctional epoxy polymer as corrosion inhibition material for carbon steel in 1.0 M HCl: MD simulations, DFT and complexation computations
  209. Fabrication of polymer based epoxy resin as effective anti-corrosive coating for steel: Computational modeling reinforced experimental studies
  210. Galactomannan as a new bio-sourced corrosion inhibitor for iron in acidic media
  211. Highly durable macromolecular epoxy resin as anticorrosive coating material for carbon steel in 3% NaCl: Computational supported experimental studies
  212. The influence of the grafted aryl groups on the solvation properties of the graphyne and graphdiyne - a MD study
  213. Electrochemical modification of platinum and glassy carbon surfaces with pyridine layers and their use as complexing agents for copper (II) ions
  214. 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
  215. DGEBA‐polyaminoamide as effective anti‐corrosive material for 15CDV6 steel in NaCl medium: Computational and experimental studies
  216. Structures and relative stabilities of Na+Nen (n = 1–16) clusters via pairwise and DFT calculations
  217. Novel derivative epoxy resin TGETET as a corrosion inhibition of E24 carbon steel in 1.0 M HCl solution. Experimental and computational (DFT and MD simulations) methods
  218. Polymeric-Based Epoxy Cured with a Polyaminoamide as an Anticorrosive Coating for Aluminum 2024-T3 Surface: Experimental Studies Supported by Computational Modeling
  219. Experimental, DFT and molecular dynamics simulation on the inhibition performance of the DGDCBA epoxy polymer against the corrosion of the E24 carbon steel in 1.0 M HCl solution
  220. Interactions between the Aryldiazonium Cations and Graphene Oxide: A DFT Study
  221. Interactions Between the Aryldiazonium Cations and Graphene Oxide – a DFT Study
  222. Alkyl-Modified Gold Surfaces: Characterization of the Au–C Bond
  223. Covalent attachment of phenyl and carboxyphenyl layers derived from diazonium salts onto activated charcoal for the adsorption of pesticides
  224. Covalently electrografted carboxyphenyl layers onto gold surface serving as a platform for the construction of an immunosensor for detection of methotrexate
  225. Corrosion Study of Mild Steel in Aqueous Sulfuric Acid Solution Using 4-Methyl-4H-1,2,4-Triazole-3-Thiol and 2-Mercaptonicotinic Acid—An Experimental and Theoretical Study
  226. Some Theoretical and Experimental Insights on the Mechanistic Routes Leading to the Spontaneous Grafting of Gold Surfaces by Diazonium Salts
  227. CORROSION INHIBITION OF MILD STEEL IN AQUEOUS SULFURIC ACID SOLUTION USING HETEROCYCLIC MERCAPTO COMPOUNDS – AN EXPERIMENTAL AND THEORETICAL STUDY
  228. EVALUATION OF THE SHORT TERM PHOTOSTABILITY OF ALPRAZOLAM DRUG
  229. Grafting of an aluminium surface with organic layers
  230. POTENTIAL APPLICATION OF ORANGE PEELS AS BIO SORBENTS IN THE REMOVAL OF ORGANIC MOLECULES FROM WASTEWATER
  231. THE EVALUATION OF THE DITHIZONE PERFORMANCE AS A COMPLEXING REAGENT FOR SUPERCRITICAL CO2 EXTRACTION OF HEAVY METALS FROM AQUEOUS SOLUTIONS
  232. Electrode Surface Modification Using Diazonium Salts
  233. Theoretical and experimental studies of the corrosion behavior of some thiazole derivatives toward mild steel in sulfuric acid media
  234. Physisorption vs grafting of aryldiazonium salts onto iron: A corrosion study
  235. Photochemical Grafting and Patterning of Metallic Surfaces by Organic Layers Derived from Acetonitrile
  236. Photochemical grafting of diazonium salts on metals
  237. Indirect Grafting of Acetonitrile-Derived Films on Metallic Substrates