Paper Search Console

Home Search Page About Contact

Journal Title

Title of Journal: Res Chem Intermed

Search In Journal Title:

Abbravation: Research on Chemical Intermediates

Search In Journal Abbravation:

Publisher

Springer Netherlands

Search In Publisher:

DOI

10.1016/0034-5687(79)90027-6

Search In DOI:

ISSN

1568-5675

Search In ISSN:
Search In Title Of Papers:

Experimental and theoretical comparatives investig

Authors: A El Assyry B Benali B Lakhrissi M El Faydy M Ebn Touhami R Touir M Touil
Publish Date: 2013/11/01
Volume: 41, Issue: 6, Pages: 3419-3431
PDF Link

Abstract

The corrosion inhibition of mild steel in 1 M HCl by three substituted quinoxalinones namely quinoxalin21Hone Q1 6methylquinoxalin21Hone Q2 and 6nitroquinoxalin21Hone Q3 was investigated using density functional approach B3LYP/631G calculations The calculated quantum chemical parameters are the highest occupied molecular orbital energy E HOMO lowest unoccupied molecular orbital energy E LUMO energy gap ΔE dipole moment μ electronegativity χ electron affinity A global hardness η softness σ ionization potential I fraction of electrons transferred ΔN global electrophilicity ω polarisability α and total energy All calculations have been performed by considering DFT using the GAUSSIAN03 W suite of programs The obtained parameters are calculated and discussed

Keywords:

References

.
Search In Abstract Of Papers:
Other Papers In This Journal:
  1. Syntheses of valpromide dipeptide derivatives and interactions of derivatives with ctDNA
  2. Thermodynamic study of metal corrosion and inhibitor adsorption processes in copper/ N -1-naphthylethylenediamine dihydrochloride monomethanolate/nitric acid system: part 2
  3. Ortho -substituent effect promoted rapid cleavage of amide C–N bond under mild conditions
  4. An efficient and green one-pot synthesis of indazolo[1,2- b ]-phthalazinetriones via three-component reaction of aldehydes, dimedone, and phthalhydrazide using Fe 3 O 4 @SiO 2 core–shell nanoparticles
  5. Iodine-catalyzed three-component one-pot synthesis of novel 1,8-dioxo-decahydroacridines derivatives bearing benzene sulfonamide moiety
  6. Electrocatalytic debromination of open-chain and cyclic dibromides in ionic liquids with cobalt(II)salen complex as mediator
  7. The modification of bitumen with reactive ethylene terpolymer, styrene butadiene styrene and variable amounts of ethylene vinyl acetate
  8. Active carbon-supported nickel–palladium catalysts for hydrodechlorination of 1,2-dichloroethane and 1,1,2-trichloroethene
  9. New turn-on fluorescence sensors for Co 2+ based on conjugated carbazole Schiff base
  10. Study on excited states of hexamethoxybenzene-NO + charge-transfer complex: incorporation of excited radical cation
  11. Enhancement of 2-chlorophenol photocatalytic degradation in the presence Co 2+ -doped ZnO nanoparticles under direct solar radiation
  12. Melamine trisulfonic acid-catalyzed N-formylation of amines under solvent-free conditions
  13. Atom-economy click synthesis of tetrahydrobenzo[ b ]pyrans using carbon-based solid acid as a novel, highly efficient and reusable heterogeneous catalyst
  14. Effect of synthesis method on physicochemical and catalytic properties of Cu–Zn-based mesoporous nanocatalysts for water-gas shift reaction
  15. Lacunary Keggin-type heteropolyanion, α-[PMo 2 W 9 O 39 ] 7− , as an efficient homogenous catalyst for oxidation of aromatic amines
  16. One-pot hydrothermal synthesis of CdS–TiO 2 heterojunctions with enhanced visible light photocatalytic activity
  17. Catalytic conversion of raw Dioscorea composita biomass to 5-hydroxymethylfurfural using a combination of metal chlorides in N,N -dimethylacetamide solvent containing lithium chloride
  18. Synthesis and properties of butynediol monopropoxylate-modified trisiloxane surfactant
  19. Thermodynamic properties and comparative studies of quinoxaline derivatives as a corrosion inhibitor for mild steel in 1M H 2 SO 4
  20. Screening and evaluation of α-glucosidase inhibitors from indigenous medicinal plants in Dak Lak Province, Vietnam
  21. Host (nanocavity of dealuminated Y zeolite)-guest (Ce(IV) salophen/TiO 2 ) nanocomposite materials as an efficient photocatalyst for degradation of 4-nitrophenol
  22. Phosphine-stabilized, oxide-supported rhodium catalysts for highly efficient silylative coupling reactions
  23. Iodine-catalyzed synthesis of pyrrolo[1,2- a ]quinazoline-3 a -carboxylic acid derivatives in ionic liquids
  24. Synthesis of BiOI photocatalyst by microwave method using EDTA as retarder of the reaction
  25. Effect of ultraviolet irradiation on photostability of C-phycocyanin in a silica matrix
  26. Synthesis and antimicrobial activity of some novel ferrocene-based Schiff bases containing a ferrocene unit
  27. Synthesis and optical properties of 4-(2-{[6-(1,1-dicyanoprop-1-en-2-yl)naphthalen-2-yl] (methyl)amino} ethoxy)-4-oxobutanoic acid fluorescent probe for β-amyloid
  28. Synthesis and properties of carboxyl-substituted coumarin–phthalocyanine dyad dyes: effect of linker unit
  29. Synthesis of 2-aroylfuran and novel 3,5-diaroyl-4-arylisoxazole derivatives by ring contraction of pyrylium salts
  30. Synthesis of pterostilbene and resveratrol carbamate derivatives as potential dual cholinesterase inhibitors and neuroprotective agents
  31. Erratum to: Synthesis, characterization, and biological evaluation of new oxime-phosphazenes
  32. N -bromosuccinimide (NBS)-promoted, three-component synthesis of α,β-unsaturated isoxazol-5(4 H )-ones, and spectroscopic investigation and computational study of 3-methyl-4-(thiophen-2-ylmethylene)isoxazol-5(4 H )-one
  33. Synthesis and characterization of Fe-doped sulfated titania with high photocatalytic activity in visible light
  34. Corrosion inhibition of mild steel in acidic medium by butyl alcohol
  35. Study of a cysteine derivative as a corrosion inhibitor for carbon steel in phosphoric acid solution
  36. Kinetic study of the catalytic pyrolysis of paddy husk by use of thermogravimetric data and the Coats–Redfern model
  37. Pharmacological evaluation of isochromen-1-ones and their thioanalogues derived from anti-inflammatory drug ketoprofen
  38. Electrochemical characterization of the redox couple of Fe(III)/Fe(II) mediated by grafted polymer electrode
  39. Nano-manganese hydrogen sulfate as a novel catalyst for the anti-diastereoselective Mannich reaction in water
  40. Absorption and foaming of plastics using carbon dioxide
  41. Synthesis of novel S -acyl and S -alkylpyrimidinone derivatives as potential cytotoxic agents
  42. Application of artificial neural networks for formulation and modeling of dye adsorption onto multiwalled carbon nanotubes
  43. Synthesis of 3-acetyl-6-( o -methyl benzoyl)- N -ethylcarbazole
  44. Synthesis and antimicrobial activity of novel mancozeb derivatives containing 1,3,4-thiadiazole
  45. Synergistic effect of AM-4VP-9 copolymer and iodide ion on corrosion inhibition of mild steel in 1 M H 2 SO 4
  46. Recycling process of spent battery modules in used hybrid electric vehicles using physical/chemical treatments
  47. An efficient procedure for synthesis of 2, 3-dihydro-1 H -indene-1-methanamines
  48. A convenient and efficient method for the synthesis of new 2-(4-amino substituted benzilidine) indanone derivatives
  49. Effect of particle size, dispersion, and particle–matrix adhesion on W reinforced polymer composites
  50. Selective synthesis of 4-thiomethyl-1,3-dioxolan-2-ones under microwave irradiation using an environmentally benign KF/Al 2 O 3 /PEG-400 system
  51. 5-Naphthylazo-8-hydroxyquinoline (5NA8HQ) as a novel corrosion inhibitor for mild steel in hydrochloric acid solution
  52. Green and facile synthesis of dihydropyrrol-2-ones and highly substituted piperidines using ethylenediammonium diformate (EDDF) as a reusable catalyst
  53. Time-resolved fluorescence of α,ω-di(1-naphthyl)oligosilanes and 1-naphthyloligosilanes: intramolecular excimer formation and charge-transfer interactions
  54. Mild and green synthesis of tetrahydrobenzopyran, pyranopyrimidinone and polyhydroquinoline derivatives and DFT study on product structures
  55. Viscosity effect on the CIDEP of laser photolysis of duroquinone in hydrogen-donor solvents
  56. Hydrothermal solidification of diatomaceous earth with analcime formation
  57. Meso-Schiff-base substituted porphyrin dimer dyes for dye-sensitized solar cells: synthesis, electrochemical, and photovoltaic properties
  58. Synthesis and antitumor activity of novel N -(5-benzyl-4-( tert -butyl)thiazol-2-yl)-2-(piperazin-1-yl)acetamides
  59. Boron trifluoride supported on hydroxyapatite-encapsulated-γ-Fe 2 O 3 as a magnetically recoverable catalyst for ring opening of α,β-epoxy ketones
  60. Cooperation between N and Fe in co-doped TiO 2 photocatalyst
  61. Two self-assemblies of Schiff base porphyrins to modify titanium dioxide electrodes for supramolecular solar cells
  62. Ionization energies, electron affinities, and binding energies of Li-doped gold nanoclusters
  63. Iron-catalyzed highly efficient aerobic oxidative synthesis of benzimidazoles direct from oximes in water
Search Result: