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Volumn 99, Issue , 2015, Pages 1-30

Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors: Part 1: An overview

Author keywords

A. Alloy; B. Modeling studies; C. Acid inhibition

Indexed keywords

COMPUTATION THEORY; COMPUTATIONAL CHEMISTRY; CORROSION; DENSITY FUNCTIONAL THEORY; DESIGN FOR TESTABILITY; GAS INDUSTRY; PETROLEUM INDUSTRY;

EID: 84937059689     PISSN: 0010938X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.corsci.2015.01.037     Document Type: Review
Times cited : (962)

References (198)
  • 1
    • 84855428551 scopus 로고    scopus 로고
    • The inhibition of carbon steel corrosion in hydrochloric acid solution using some phenolic compounds
    • Abdallah M., Asghar B.H., Zaafarany I., Fouda A.S. The inhibition of carbon steel corrosion in hydrochloric acid solution using some phenolic compounds. Int. J. Electrochem. Sci. 2012, 7:282-304.
    • (2012) Int. J. Electrochem. Sci. , vol.7 , pp. 282-304
    • Abdallah, M.1    Asghar, B.H.2    Zaafarany, I.3    Fouda, A.S.4
  • 2
    • 34548133341 scopus 로고    scopus 로고
    • Evaluation of cysteine as environmentally friendly corrosion inhibitor for copper in neutral and acidic chloride solutions
    • Khaled M.I. Evaluation of cysteine as environmentally friendly corrosion inhibitor for copper in neutral and acidic chloride solutions. Electrochim. Acta 2007, 52:7811-7819.
    • (2007) Electrochim. Acta , vol.52 , pp. 7811-7819
    • Khaled, M.I.1
  • 3
    • 34447093645 scopus 로고    scopus 로고
    • Effect of surface nanocrystallization on corrosion and corrosion inhibition of low carbon steel: synergistic effect of methionine and iodide ion
    • Oguzie E.E., Li Y., Wang F.H. Effect of surface nanocrystallization on corrosion and corrosion inhibition of low carbon steel: synergistic effect of methionine and iodide ion. Electrochim. Acta 2007, 52:6988-6996.
    • (2007) Electrochim. Acta , vol.52 , pp. 6988-6996
    • Oguzie, E.E.1    Li, Y.2    Wang, F.H.3
  • 5
    • 84883825466 scopus 로고    scopus 로고
    • Metronidazole as environmentally safe corrosion inhibitor for mild steel in 0.5 M HCl: experimental and theoretical investigation
    • Obot I.B., Ebenso E.E., Kabanda M.M. Metronidazole as environmentally safe corrosion inhibitor for mild steel in 0.5 M HCl: experimental and theoretical investigation. J. Environ. Chem. Eng. 2013, 1:431-439.
    • (2013) J. Environ. Chem. Eng. , vol.1 , pp. 431-439
    • Obot, I.B.1    Ebenso, E.E.2    Kabanda, M.M.3
  • 7
    • 77955517959 scopus 로고    scopus 로고
    • Corrosion control of copper in nitric acid solutions using amino acids - a combined experimental and theoretical study
    • Khaled K.F. Corrosion control of copper in nitric acid solutions using amino acids - a combined experimental and theoretical study. Corros. Sci. 2010, 52:3225-3234.
    • (2010) Corros. Sci. , vol.52 , pp. 3225-3234
    • Khaled, K.F.1
  • 9
    • 0015049169 scopus 로고
    • Study on corrosion inhibition from aspect of quantum chemistry
    • Vosta J., Eliasek J. Study on corrosion inhibition from aspect of quantum chemistry. Corros. Sci. 1971, 11:223-229.
    • (1971) Corros. Sci. , vol.11 , pp. 223-229
    • Vosta, J.1    Eliasek, J.2
  • 10
    • 0032313376 scopus 로고    scopus 로고
    • Polynomial model of the inhibition mechanism of thiourea derivatives
    • Lukovits I., Bako I., Shaban A., Kalman E. Polynomial model of the inhibition mechanism of thiourea derivatives. Electrochim. Acta 1998, 43:131-136.
    • (1998) Electrochim. Acta , vol.43 , pp. 131-136
    • Lukovits, I.1    Bako, I.2    Shaban, A.3    Kalman, E.4
  • 13
    • 84855257910 scopus 로고    scopus 로고
    • Experimental and theoretical study for corrosion inhibition in normal hydrochloric acid solution by some new phosphonated compounds
    • Senhaji O., Taouil R., Skalli M.K., Bouachrine M., Hammouti B., Hamidi M., Al-Deyab S.S. Experimental and theoretical study for corrosion inhibition in normal hydrochloric acid solution by some new phosphonated compounds. Int. J. Electrochem. Sci. 2011, 6:6290-6299.
    • (2011) Int. J. Electrochem. Sci. , vol.6 , pp. 6290-6299
    • Senhaji, O.1    Taouil, R.2    Skalli, M.K.3    Bouachrine, M.4    Hammouti, B.5    Hamidi, M.6    Al-Deyab, S.S.7
  • 15
    • 84908648267 scopus 로고    scopus 로고
    • A theoretical study on the inhibition efficiencies of some quinoxalines as corrosion inhibitors for copper in nitric acid
    • Zarrouk A., Hammouti B., Dafali A., Bouachrine M., Zarrok H., Boukhris S., Al-Deyab S.S. A theoretical study on the inhibition efficiencies of some quinoxalines as corrosion inhibitors for copper in nitric acid. J. Saudi Chem. Soc. 2011, 10.1016/j.jscs.2011.09.011.
    • (2011) J. Saudi Chem. Soc.
    • Zarrouk, A.1    Hammouti, B.2    Dafali, A.3    Bouachrine, M.4    Zarrok, H.5    Boukhris, S.6    Al-Deyab, S.S.7
  • 16
    • 78149468868 scopus 로고    scopus 로고
    • Theoretical evaluation of corrosion inhibition performance of imidazoline compounds with different hydrophilic groups
    • Zhang J., Qiao G., Hu S., Yan Y., Ren Z., Yu L. Theoretical evaluation of corrosion inhibition performance of imidazoline compounds with different hydrophilic groups. Corros. Sci. 2011, 53:147-152.
    • (2011) Corros. Sci. , vol.53 , pp. 147-152
    • Zhang, J.1    Qiao, G.2    Hu, S.3    Yan, Y.4    Ren, Z.5    Yu, L.6
  • 17
    • 79957843049 scopus 로고    scopus 로고
    • Inhibition of the corrosion of steel in hydrochloric acid solution by some organic molecules containing the methylthiophenyl moiety
    • Nataraja S.E., Venkatesha T.V., Manjunatha K., Poojary B., Pavithra M.K., Tandon H.C. Inhibition of the corrosion of steel in hydrochloric acid solution by some organic molecules containing the methylthiophenyl moiety. Corros. Sci. 2011, 53:2651-2659.
    • (2011) Corros. Sci. , vol.53 , pp. 2651-2659
    • Nataraja, S.E.1    Venkatesha, T.V.2    Manjunatha, K.3    Poojary, B.4    Pavithra, M.K.5    Tandon, H.C.6
  • 19
    • 79952899289 scopus 로고    scopus 로고
    • Monitoring corrosion and corrosion control of iron in HCl by non-ionic surfactants of the TRITON-X series-Part III. Immersion time effects and theoretical studies
    • Amin M.A., Ahmed M.A., Arida H.A., Kandemirli F., Saracoglu M., Arslan T., Basaran M.A. Monitoring corrosion and corrosion control of iron in HCl by non-ionic surfactants of the TRITON-X series-Part III. Immersion time effects and theoretical studies. Corros. Sci. 2011, 53:1895-1909.
    • (2011) Corros. Sci. , vol.53 , pp. 1895-1909
    • Amin, M.A.1    Ahmed, M.A.2    Arida, H.A.3    Kandemirli, F.4    Saracoglu, M.5    Arslan, T.6    Basaran, M.A.7
  • 20
    • 79960733212 scopus 로고    scopus 로고
    • Theoretical investigation of corrosion inhibition effect of imidazole and its derivatives on mild steel using cluster model
    • Mousavi M., Mohammadalizadeh M., Khosravan A. Theoretical investigation of corrosion inhibition effect of imidazole and its derivatives on mild steel using cluster model. Corros. Sci. 2011, 53:3086-3091.
    • (2011) Corros. Sci. , vol.53 , pp. 3086-3091
    • Mousavi, M.1    Mohammadalizadeh, M.2    Khosravan, A.3
  • 21
    • 79955160320 scopus 로고    scopus 로고
    • 1,2-Diaminoanthraquinone as corrosion inhibitor for mild steel in hydrochloric acid: weight loss and quantum chemical study
    • Obi-Egbedi N.O., Essien K.E., Obot I.B., Ebenso E.E. 1,2-Diaminoanthraquinone as corrosion inhibitor for mild steel in hydrochloric acid: weight loss and quantum chemical study. Int. J. Electrochem. Sci. 2011, 6:913-930.
    • (2011) Int. J. Electrochem. Sci. , vol.6 , pp. 913-930
    • Obi-Egbedi, N.O.1    Essien, K.E.2    Obot, I.B.3    Ebenso, E.E.4
  • 22
    • 74249083204 scopus 로고    scopus 로고
    • 2,3-Diphenylbenzoquinoxaline: a new corrosion inhibitor for mild steel in sulphuric acid
    • Obot I.B., Obi-Egbedi N.O. 2,3-Diphenylbenzoquinoxaline: a new corrosion inhibitor for mild steel in sulphuric acid. Corros. Sci. 2010, 52:282-285.
    • (2010) Corros. Sci. , vol.52 , pp. 282-285
    • Obot, I.B.1    Obi-Egbedi, N.O.2
  • 23
    • 82455194916 scopus 로고    scopus 로고
    • Adsorption behaviour and corrosion inhibitive potential of xanthene on mild steel/sulphuric acid interface
    • Obi-Egbedi N.O., Obot I.B. Adsorption behaviour and corrosion inhibitive potential of xanthene on mild steel/sulphuric acid interface. Arab. J. Chem. 2012, 5:121-133.
    • (2012) Arab. J. Chem. , vol.5 , pp. 121-133
    • Obi-Egbedi, N.O.1    Obot, I.B.2
  • 24
    • 84868142591 scopus 로고    scopus 로고
    • Computational simulation and corrosion inhibitive potential of alloxazine for mild steel in 1 M HCl
    • Obi-Egbedi N.O., Essien K.E., Obot I.B. Computational simulation and corrosion inhibitive potential of alloxazine for mild steel in 1 M HCl. J. Comput. Methods Mol. Des. 2011, 1(1):26-43.
    • (2011) J. Comput. Methods Mol. Des. , vol.1 , Issue.1 , pp. 26-43
    • Obi-Egbedi, N.O.1    Essien, K.E.2    Obot, I.B.3
  • 25
    • 79951494078 scopus 로고    scopus 로고
    • Anti-corrosion potential of 2-mesityl-1H-imidazo[4,5-f][1,10]-phenanthroline on mild steel in sulphuric acid solution: experimental and theoretical study
    • Obot I.B., Obi-Egbedi N.O., Eseola A.O. Anti-corrosion potential of 2-mesityl-1H-imidazo[4,5-f][1,10]-phenanthroline on mild steel in sulphuric acid solution: experimental and theoretical study. Ind. Eng. Chem. Res. 2011, 50:2098-2110.
    • (2011) Ind. Eng. Chem. Res. , vol.50 , pp. 2098-2110
    • Obot, I.B.1    Obi-Egbedi, N.O.2    Eseola, A.O.3
  • 26
    • 84855267440 scopus 로고    scopus 로고
    • Computational simulation and statistical analysis on the relationship between corrosion inhibition efficiency and molecular structure of some phenanthroline derivatives on mild steel surface
    • Obi-Egbedi N.O., Obot I.B., El-Khaiary M.I., Umoren S.A., Ebenso E.E. Computational simulation and statistical analysis on the relationship between corrosion inhibition efficiency and molecular structure of some phenanthroline derivatives on mild steel surface. Int. J. Electrochem. Sci. 2011, 6:5649-5675.
    • (2011) Int. J. Electrochem. Sci. , vol.6 , pp. 5649-5675
    • Obi-Egbedi, N.O.1    Obot, I.B.2    El-Khaiary, M.I.3    Umoren, S.A.4    Ebenso, E.E.5
  • 28
    • 34250817103 scopus 로고
    • A new mixing of Hartree-Fock and local density-functional theories
    • Becke A.D. A new mixing of Hartree-Fock and local density-functional theories. J. Chem. Phys. 1992, 98:1372-1377.
    • (1992) J. Chem. Phys. , vol.98 , pp. 1372-1377
    • Becke, A.D.1
  • 29
    • 0345491105 scopus 로고
    • Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
    • Lee C., Yang W., Parr R.G. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys. Rev. B 1988, 37:785-789.
    • (1988) Phys. Rev. B , vol.37 , pp. 785-789
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 31
    • 0347291894 scopus 로고
    • Absolute hardness: companion parameter to absolute electronegativity
    • Parr R.G., Pearson R.G. Absolute hardness: companion parameter to absolute electronegativity. J. Am. Chem. Soc. 1983, 105:7512-7516.
    • (1983) J. Am. Chem. Soc. , vol.105 , pp. 7512-7516
    • Parr, R.G.1    Pearson, R.G.2
  • 32
    • 71649106364 scopus 로고    scopus 로고
    • Density functional study of the corrosion inhibition properties of 1,2,4-triazole and its amino derivatives
    • Lesar A., Milosev I. Density functional study of the corrosion inhibition properties of 1,2,4-triazole and its amino derivatives. Chem. Phys. Lett. 2009, 483:198-203.
    • (2009) Chem. Phys. Lett. , vol.483 , pp. 198-203
    • Lesar, A.1    Milosev, I.2
  • 33
    • 77954861493 scopus 로고    scopus 로고
    • The role of structural chemistry in the inhibitive performance of some aminopyrimidines on the corrosion of steel
    • Masoud M.S., Awad M.K., Shaker M.A., El-Tahawy M.M.T. The role of structural chemistry in the inhibitive performance of some aminopyrimidines on the corrosion of steel. Corros. Sci. 2010, 52:2387-2396.
    • (2010) Corros. Sci. , vol.52 , pp. 2387-2396
    • Masoud, M.S.1    Awad, M.K.2    Shaker, M.A.3    El-Tahawy, M.M.T.4
  • 34
    • 0001939809 scopus 로고
    • Theory of molecular electrode kinetics
    • Interscience Pub., London, N.S. Hush (Ed.)
    • Dogonadze R.R. Theory of molecular electrode kinetics. Reactions of Molecules at Electrodes 1971, 135-227. Interscience Pub., London. N.S. Hush (Ed.).
    • (1971) Reactions of Molecules at Electrodes , pp. 135-227
    • Dogonadze, R.R.1
  • 36
    • 0001765666 scopus 로고    scopus 로고
    • Density functional theory and application to atoms and molecules
    • Nagy A. Density functional theory and application to atoms and molecules. Phys. Rev. 1998, 298:1-79.
    • (1998) Phys. Rev. , vol.298 , pp. 1-79
    • Nagy, A.1
  • 37
    • 84883911104 scopus 로고    scopus 로고
    • Predictive modeling of corrosion, in: J.A. Richardson et al. (Eds.), Shreir's Corrosion
    • D.D. Macdonald, G.R. Engelhardt, Predictive modeling of corrosion, in: J.A. Richardson et al. (Eds.), Shreir's Corrosion, vol. 2, 2010, pp. 1630-1679.
    • (2010) , vol.2 , pp. 1630-1679
    • Macdonald, D.D.1    Engelhardt, G.R.2
  • 38
    • 0026961991 scopus 로고
    • The point defect model for the passive state
    • Macdonald D.D. The point defect model for the passive state. J. Electrochem. Soc. 1992, 3434-3449.
    • (1992) J. Electrochem. Soc. , pp. 3434-3449
    • Macdonald, D.D.1
  • 39
    • 0001147260 scopus 로고    scopus 로고
    • Passivity: the key to our metals-based civilization
    • Macdonald D.D. Passivity: the key to our metals-based civilization. Pure Appl. Chem. 1999, 71:951-978.
    • (1999) Pure Appl. Chem. , vol.71 , pp. 951-978
    • Macdonald, D.D.1
  • 40
    • 84877048023 scopus 로고    scopus 로고
    • Modeling of the electrochemical impedance spectroscopic behavior of passive iron using a genetic algorithm approach
    • Sharifi-Asl S., Taylor M.L., Lu Z., Engelhardt G.R., Kursten B., Macdonald D.D. Modeling of the electrochemical impedance spectroscopic behavior of passive iron using a genetic algorithm approach. Electrochim. Acta 2013, 102:161-173.
    • (2013) Electrochim. Acta , vol.102 , pp. 161-173
    • Sharifi-Asl, S.1    Taylor, M.L.2    Lu, Z.3    Engelhardt, G.R.4    Kursten, B.5    Macdonald, D.D.6
  • 41
    • 79151469459 scopus 로고    scopus 로고
    • The point defect model for bi-layer passive films
    • Macdonald D.D., Engelhardt G.R. The point defect model for bi-layer passive films. ECS Trans. 2010, 28(24):123-144.
    • (2010) ECS Trans. , vol.28 , Issue.24 , pp. 123-144
    • Macdonald, D.D.1    Engelhardt, G.R.2
  • 44
    • 79151472552 scopus 로고    scopus 로고
    • Deterministic modelling of the corrosion of low-carbon steel by dissolved carbon dioxide and the effect of acetic acid. I - Effect of carbon dioxide
    • Rosas-Camacho O., Uquidi-Macdonald M., Macdonald D.D. Deterministic modelling of the corrosion of low-carbon steel by dissolved carbon dioxide and the effect of acetic acid. I - Effect of carbon dioxide. ECS Trans. 2009, 19(29):143-165.
    • (2009) ECS Trans. , vol.19 , Issue.29 , pp. 143-165
    • Rosas-Camacho, O.1    Uquidi-Macdonald, M.2    Macdonald, D.D.3
  • 45
    • 84941802481 scopus 로고    scopus 로고
    • Two Amines, Technical Report to Siemens Inc., Orlando, FL, October
    • M. Taylor, D. Seong, D.D. Macdonald, Two Amines, Technical Report to Siemens Inc., Orlando, FL, October, 2010.
    • (2010)
    • Taylor, M.1    Seong, D.2    Macdonald, D.D.3
  • 46
    • 33744821928 scopus 로고    scopus 로고
    • On the existence of our metals-based civilization: I. Phase space analysis
    • Macdonald D.D. On the existence of our metals-based civilization: I. Phase space analysis. J. Electrochem. Soc. 2006, 153(7):B213-B224.
    • (2006) J. Electrochem. Soc. , vol.153 , Issue.7 , pp. B213-B224
    • Macdonald, D.D.1
  • 47
    • 33845265614 scopus 로고    scopus 로고
    • Electrochemical impedance spectroscopic study of passive zirconium: I. High-temperature, deaerated aqueous solutions
    • Ai J., Chen Y., Urquidi-Macdonald M., Macdonald D.D. Electrochemical impedance spectroscopic study of passive zirconium: I. High-temperature, deaerated aqueous solutions. J. Electrochem. Soc. 2007, 154(1):C43-C51.
    • (2007) J. Electrochem. Soc. , vol.154 , Issue.1 , pp. C43-C51
    • Ai, J.1    Chen, Y.2    Urquidi-Macdonald, M.3    Macdonald, D.D.4
  • 48
    • 33845260710 scopus 로고    scopus 로고
    • Electrochemical impedance spectroscopic study of passive zirconium: II. High temperature, hydrogenated aqueous solutions films
    • Ai J., Chen Y., Urquidi-Macdonald M., Macdonald D.D. Electrochemical impedance spectroscopic study of passive zirconium: II. High temperature, hydrogenated aqueous solutions films. J. Electrochem. Soc. 2007, 154(1):C52-C59.
    • (2007) J. Electrochem. Soc. , vol.154 , Issue.1 , pp. C52-C59
    • Ai, J.1    Chen, Y.2    Urquidi-Macdonald, M.3    Macdonald, D.D.4
  • 49
    • 30744440675 scopus 로고    scopus 로고
    • An electrochemical impedance spectroscopy study of the passive state of Alloy-22
    • Macdonald D.D., Sun A. An electrochemical impedance spectroscopy study of the passive state of Alloy-22. Electrochim. Acta 2006, 51:1767-1779.
    • (2006) Electrochim. Acta , vol.51 , pp. 1767-1779
    • Macdonald, D.D.1    Sun, A.2
  • 50
    • 0026698498 scopus 로고
    • Discussion on electrochemical potential measurements under simulated BWR water chemistry conditions
    • Macdonald D.D. Discussion on electrochemical potential measurements under simulated BWR water chemistry conditions. Corrosion 1992, 48:16-28.
    • (1992) Corrosion , vol.48 , pp. 16-28
    • Macdonald, D.D.1
  • 51
    • 51249117666 scopus 로고
    • Corrosion and erosion-corrosion of steam cycle materials
    • American Society of Mechanical Engineers, New York, NY, (Chapter 9), P. Cohen (Ed.)
    • Macdonald D.D., Cragnolino G.A. Corrosion and erosion-corrosion of steam cycle materials. Water Technology for Thermal Power Systems 1989, American Society of Mechanical Engineers, New York, NY, (Chapter 9). P. Cohen (Ed.).
    • (1989) Water Technology for Thermal Power Systems
    • Macdonald, D.D.1    Cragnolino, G.A.2
  • 52
    • 84941803640 scopus 로고    scopus 로고
    • Private Communication from G.T. Burstein
    • Private Communication from G.T. Burstein, 2000.
    • (2000)
  • 55
    • 26844523668 scopus 로고    scopus 로고
    • Potential-pH diagrams for hydroxyl and hydrogen adsorbed on a copper surface
    • Protopopoff E., Marcus P. Potential-pH diagrams for hydroxyl and hydrogen adsorbed on a copper surface. Electrochim. Acta 2005, 51:408-417.
    • (2005) Electrochim. Acta , vol.51 , pp. 408-417
    • Protopopoff, E.1    Marcus, P.2
  • 56
    • 0020497153 scopus 로고
    • Growth of passivating film on scratched 304 L stainless steel in alkaline solution
    • Bursten G.T., Marshall P.I. Growth of passivating film on scratched 304 L stainless steel in alkaline solution. Corros. Sci. 1983, 23:125.
    • (1983) Corros. Sci. , vol.23 , pp. 125
    • Bursten, G.T.1    Marshall, P.I.2
  • 57
    • 0021204408 scopus 로고
    • The coupled kinetics of film growth and dissolution of stainless steel repassivating in acid solutions
    • Bursten G.T., Marshall P.I. The coupled kinetics of film growth and dissolution of stainless steel repassivating in acid solutions. Corros. Sci. 1984, 24:449.
    • (1984) Corros. Sci. , vol.24 , pp. 449
    • Bursten, G.T.1    Marshall, P.I.2
  • 58
    • 0019246218 scopus 로고
    • The effect of anions on the behavior of scratched iron electrodes in aqueous solutions
    • Bursten G.T., Davies D.H. The effect of anions on the behavior of scratched iron electrodes in aqueous solutions. Corros. Sci. 1980, 20:1143-1155.
    • (1980) Corros. Sci. , vol.20 , pp. 1143-1155
    • Bursten, G.T.1    Davies, D.H.2
  • 59
    • 0026054336 scopus 로고
    • A coupled environment model for stress corrosion cracking in sensitized type 304 stainless steel in LWR environments
    • Macdonald D.D., Urquidi-Macdonald M. A coupled environment model for stress corrosion cracking in sensitized type 304 stainless steel in LWR environments. Corros. Sci. 1991, 32:51-81.
    • (1991) Corros. Sci. , vol.32 , pp. 51-81
    • Macdonald, D.D.1    Urquidi-Macdonald, M.2
  • 60
    • 1842533256 scopus 로고    scopus 로고
    • Theoretical estimation of crack growth rates in type 304 stainless steel in boiling-water reactor coolant environments
    • Macdonald D.D., Lu P.C., Urquidi-Macdonald M., Yeh T.K. Theoretical estimation of crack growth rates in type 304 stainless steel in boiling-water reactor coolant environments. Corrosion 1996, 52:768.
    • (1996) Corrosion , vol.52 , pp. 768
    • Macdonald, D.D.1    Lu, P.C.2    Urquidi-Macdonald, M.3    Yeh, T.K.4
  • 61
    • 0030173810 scopus 로고    scopus 로고
    • On the modeling of stress corrosion cracking in iron and nickel based alloys in high temperature aqueous environments
    • Macdonald D.D. On the modeling of stress corrosion cracking in iron and nickel based alloys in high temperature aqueous environments. Corros. Sci. 1996, 38:1003-1010.
    • (1996) Corros. Sci. , vol.38 , pp. 1003-1010
    • Macdonald, D.D.1
  • 62
  • 63
    • 0028992280 scopus 로고
    • Determination of the fate of current in the stress corrosion cracking of sensitized type 304 SS in high temperature aqueous systems
    • Manahan M.P., Macdonald D.D., Peterson A.J. Determination of the fate of current in the stress corrosion cracking of sensitized type 304 SS in high temperature aqueous systems. Corros. Sci. 1995, 37:189-208.
    • (1995) Corros. Sci. , vol.37 , pp. 189-208
    • Manahan, M.P.1    Macdonald, D.D.2    Peterson, A.J.3
  • 64
    • 0032144687 scopus 로고    scopus 로고
    • The effects of dielectric coating on IGSCC on sensitized type 304 SS in high temperate dilute sodium sulfate solution
    • Zhou X., Balachov I., Macdonald D.D. The effects of dielectric coating on IGSCC on sensitized type 304 SS in high temperate dilute sodium sulfate solution. Corros. Sci. 1998, 40:1349-1362.
    • (1998) Corros. Sci. , vol.40 , pp. 1349-1362
    • Zhou, X.1    Balachov, I.2    Macdonald, D.D.3
  • 65
    • 78649374024 scopus 로고    scopus 로고
    • The electrochemistry of stress corrosion cracking, in: Proc. 14th Int. Conf. on Environmental Degradation of Materials in Nuclear Power Systems, Virginia Beach, VA, August 23-27
    • D.D. Macdonald, The electrochemistry of stress corrosion cracking, in: Proc. 14th Int. Conf. on Environmental Degradation of Materials in Nuclear Power Systems, Virginia Beach, VA, August 23-27, 2009.
    • (2009)
    • Macdonald, D.D.1
  • 66
    • 0141763984 scopus 로고
    • The electrochemical character of corrosion
    • Evans U.R. The electrochemical character of corrosion. J. Inst. Met. 1923, 30:239-243.
    • (1923) J. Inst. Met. , vol.30 , pp. 239-243
    • Evans, U.R.1
  • 67
    • 84941567495 scopus 로고    scopus 로고
    • Oxyanion inhibition of passivity breakdown and the nucleation of pits on type 316L stainless steel
    • Macdonald D.D., Yang Shoufeng Oxyanion inhibition of passivity breakdown and the nucleation of pits on type 316L stainless steel. Power Plant Chem. 2007, 9(10):596-607.
    • (2007) Power Plant Chem. , vol.9 , Issue.10 , pp. 596-607
    • Macdonald, D.D.1    Yang, S.2
  • 68
    • 49349116495 scopus 로고    scopus 로고
    • Transient growth and thinning of the barrier oxide layer on iron measured by real-time spectroscopic ellipsometry
    • Lu Z., Macdonald D.D. Transient growth and thinning of the barrier oxide layer on iron measured by real-time spectroscopic ellipsometry. Electrochim. Acta 2008, 53:7696-7702.
    • (2008) Electrochim. Acta , vol.53 , pp. 7696-7702
    • Lu, Z.1    Macdonald, D.D.2
  • 70
    • 84881093263 scopus 로고    scopus 로고
    • Customization of the CEFM fo predicting stress corrosion cracking in lightly sensitized Al-Mg alloys in marine applications
    • Lee S.K., Lv P., Macdonald D.D. Customization of the CEFM fo predicting stress corrosion cracking in lightly sensitized Al-Mg alloys in marine applications. J. Solid State Electrochem. 2013, 17:2319-2332.
    • (2013) J. Solid State Electrochem. , vol.17 , pp. 2319-2332
    • Lee, S.K.1    Lv, P.2    Macdonald, D.D.3
  • 71
    • 0039566834 scopus 로고    scopus 로고
    • Determination of critical micelle concentration of some surfactants by three techniques
    • Domínguez A., Fernández A., González N., Iglesias E., Montenegro L. Determination of critical micelle concentration of some surfactants by three techniques. J. Chem. Ed. 1997, 74:1227-1231.
    • (1997) J. Chem. Ed. , vol.74 , pp. 1227-1231
    • Domínguez, A.1    Fernández, A.2    González, N.3    Iglesias, E.4    Montenegro, L.5
  • 77
    • 0038031486 scopus 로고    scopus 로고
    • Symposium on density functional theory and applications
    • Yang W., Levy M., Trickey S. Symposium on density functional theory and applications. Int. J. Quant. Chem. 1998, 69:227-433.
    • (1998) Int. J. Quant. Chem. , vol.69 , pp. 227-433
    • Yang, W.1    Levy, M.2    Trickey, S.3
  • 78
    • 33645956933 scopus 로고    scopus 로고
    • In recent developments and applications of modern density functional theory
    • Elsevier, Amsterdam
    • Geerlings P., De Proft F., Martin J.M.L. In recent developments and applications of modern density functional theory. Theoretical and Computational Chemistry 1996, vol. 4:773. Elsevier, Amsterdam.
    • (1996) Theoretical and Computational Chemistry , vol.4 , pp. 773
    • Geerlings, P.1    De Proft, F.2    Martin, J.M.L.3
  • 79
    • 0039892284 scopus 로고
    • Density functional calculations of molecular bond energies
    • Becke A.D. Density functional calculations of molecular bond energies. J. Chem. Phys. 1986, 84:4524-4529.
    • (1986) J. Chem. Phys. , vol.84 , pp. 4524-4529
    • Becke, A.D.1
  • 80
    • 10644250257 scopus 로고
    • Inhomogeneous electron gas
    • Hohenberg P., Kohn W. Inhomogeneous electron gas. Phys. Rev. B 1964, 136:864-871.
    • (1964) Phys. Rev. B , vol.136 , pp. 864-871
    • Hohenberg, P.1    Kohn, W.2
  • 82
    • 34547667002 scopus 로고    scopus 로고
    • Computational chemistry using modern electronic structure methods
    • Bell S., Dines T.J., Chowdhry B.Z., Withnall R. Computational chemistry using modern electronic structure methods. J. Chem. Ed. 2007, 84(8):1364-1368.
    • (2007) J. Chem. Ed. , vol.84 , Issue.8 , pp. 1364-1368
    • Bell, S.1    Dines, T.J.2    Chowdhry, B.Z.3    Withnall, R.4
  • 83
    • 0042113153 scopus 로고
    • Self-consistent equations including exchange and correlation effects
    • Kohn W., Sham L. Self-consistent equations including exchange and correlation effects. Phys. Rev. 1965, 140:A1133-A1138.
    • (1965) Phys. Rev. , vol.140 , pp. A1133-A1138
    • Kohn, W.1    Sham, L.2
  • 85
    • 18144378706 scopus 로고
    • Accurate and simple density functional for the electronic exchange energy: generalized gradient approximation
    • Perdew J., Yang W. Accurate and simple density functional for the electronic exchange energy: generalized gradient approximation. Phys. Rev. B 1986, 33:8800-8802.
    • (1986) Phys. Rev. B , vol.33 , pp. 8800-8802
    • Perdew, J.1    Yang, W.2
  • 86
    • 5944261746 scopus 로고
    • Density functional approximation for the correlation energy of an inhomogeneous electron gas
    • Perdew J.P. Density functional approximation for the correlation energy of an inhomogeneous electron gas. Phys. Rev. B 1986, 33:8822-8824.
    • (1986) Phys. Rev. B , vol.33 , pp. 8822-8824
    • Perdew, J.P.1
  • 87
    • 4243553426 scopus 로고
    • Density-functional exchange-energy approximation with correct asymptotic behavior
    • Becke A.D. Density-functional exchange-energy approximation with correct asymptotic behavior. Phys. Rev. A 1988, 38:3098-3100.
    • (1988) Phys. Rev. A , vol.38 , pp. 3098-3100
    • Becke, A.D.1
  • 88
    • 0000567090 scopus 로고
    • Variational method for the hydrogen atom Gaussian orbitals
    • Boys S.F. Variational method for the hydrogen atom Gaussian orbitals. Proc. Roy. Soc. A 1950, 200:542-554.
    • (1950) Proc. Roy. Soc. A , vol.200 , pp. 542-554
    • Boys, S.F.1
  • 89
    • 0346948866 scopus 로고
    • Role of frontier orbitals in chemical reactions
    • Fukui K. Role of frontier orbitals in chemical reactions. Science 1982, 218:747-754.
    • (1982) Science , vol.218 , pp. 747-754
    • Fukui, K.1
  • 90
    • 0038730546 scopus 로고    scopus 로고
    • Quantum chemical approach of corrosion inhibition
    • Khalil N. Quantum chemical approach of corrosion inhibition. Electrochim. Acta 2003, 48:2635-2640.
    • (2003) Electrochim. Acta , vol.48 , pp. 2635-2640
    • Khalil, N.1
  • 91
    • 54149102235 scopus 로고    scopus 로고
    • Computational and electrochemical investigation for corrosion inhibition of nickel in molar nitric acid by piperidines
    • Khaled K.F., Amin M.A. Computational and electrochemical investigation for corrosion inhibition of nickel in molar nitric acid by piperidines. J. Appl. Electrochem. 2008, 38:1609-1629.
    • (2008) J. Appl. Electrochem. , vol.38 , pp. 1609-1629
    • Khaled, K.F.1    Amin, M.A.2
  • 92
    • 4444361248 scopus 로고    scopus 로고
    • 2,5-Bis(4-dimethylaminophenyl)-1,3,4-oxadiazole and 2,5-bis(4 dimethylaminophenyl)-1,3,4-thiadiazole as corrosion inhibitors for mild steel in acidic media
    • Bentis F., Traisnel M., Vezin H., Hildebrand H.F., Lagrenee M. 2,5-Bis(4-dimethylaminophenyl)-1,3,4-oxadiazole and 2,5-bis(4 dimethylaminophenyl)-1,3,4-thiadiazole as corrosion inhibitors for mild steel in acidic media. Corros. Sci. 2004, 46:2781-2792.
    • (2004) Corros. Sci. , vol.46 , pp. 2781-2792
    • Bentis, F.1    Traisnel, M.2    Vezin, H.3    Hildebrand, H.F.4    Lagrenee, M.5
  • 93
    • 0000641673 scopus 로고
    • Ordering of wave functions and Eigen-energies to the individual electrons of an atom
    • Koopmans T. Ordering of wave functions and Eigen-energies to the individual electrons of an atom. Physica 1933, 1:104-113.
    • (1933) Physica , vol.1 , pp. 104-113
    • Koopmans, T.1
  • 94
    • 80052273372 scopus 로고    scopus 로고
    • Quantum chemical investigation and statistical analysis of the relationship between corrosion inhibition efficiency and molecular structure of xanthene and its derivatives on mild steel in sulphuric acid
    • Obi-Egbedi N.O., Obot I.B., El-Khaiary M.I. Quantum chemical investigation and statistical analysis of the relationship between corrosion inhibition efficiency and molecular structure of xanthene and its derivatives on mild steel in sulphuric acid. J. Mol. Struct. 2001, 1002:86-96.
    • (2001) J. Mol. Struct. , vol.1002 , pp. 86-96
    • Obi-Egbedi, N.O.1    Obot, I.B.2    El-Khaiary, M.I.3
  • 96
    • 33847369490 scopus 로고    scopus 로고
    • Electrochemical and DFT studies of β-amino-alcohols as corrosion inhibitors for brass
    • Gao G., Liang C. Electrochemical and DFT studies of β-amino-alcohols as corrosion inhibitors for brass. Electrochim. Acta 2007, 52:4554-4559.
    • (2007) Electrochim. Acta , vol.52 , pp. 4554-4559
    • Gao, G.1    Liang, C.2
  • 97
    • 67649823396 scopus 로고    scopus 로고
    • Antifungal drugs as corrosion inhibitors for aluminium in 0.1 M HCl
    • Obot I.B., Obi-Egbedi N.O., Umoren S.A. Antifungal drugs as corrosion inhibitors for aluminium in 0.1 M HCl. Corros. Sci. 2009, 51:1868-1875.
    • (2009) Corros. Sci. , vol.51 , pp. 1868-1875
    • Obot, I.B.1    Obi-Egbedi, N.O.2    Umoren, S.A.3
  • 101
    • 72649100948 scopus 로고    scopus 로고
    • Theoretical study of benzimidazole and its derivatives and their potential activity as corrosion inhibitors
    • Obot I.B., Obi-Egbedi N.O. Theoretical study of benzimidazole and its derivatives and their potential activity as corrosion inhibitors. Corros. Sci. 2010, 52:657-660.
    • (2010) Corros. Sci. , vol.52 , pp. 657-660
    • Obot, I.B.1    Obi-Egbedi, N.O.2
  • 102
    • 43449127495 scopus 로고    scopus 로고
    • Experimental and theoretical study of the effect of some heterocyclic compounds on the corrosion of low carbon steel in 3.5% NaCl medium
    • Sahin M., Gece G., Karei E., Bilgic S. Experimental and theoretical study of the effect of some heterocyclic compounds on the corrosion of low carbon steel in 3.5% NaCl medium. J. Appl. Electrochem. 2008, 38:809-815.
    • (2008) J. Appl. Electrochem. , vol.38 , pp. 809-815
    • Sahin, M.1    Gece, G.2    Karei, E.3    Bilgic, S.4
  • 103
    • 49849086282 scopus 로고    scopus 로고
    • Interfacial behavior of cysteine between mild steel and sulphuric acid as corrosion inhibitor
    • Ozcan M., Karadag F., Dehri I. Interfacial behavior of cysteine between mild steel and sulphuric acid as corrosion inhibitor. Acta Phys. - Chim. Sin. 2008, 24(8):1387-1392.
    • (2008) Acta Phys. - Chim. Sin. , vol.24 , Issue.8 , pp. 1387-1392
    • Ozcan, M.1    Karadag, F.2    Dehri, I.3
  • 104
    • 79951504731 scopus 로고    scopus 로고
    • Anti-corrosive properties of xanthone on mild steel corrosion in sulphuric acid: experimental and theoretical investigations
    • Obot I.B., Obi-Egbedi N.O. Anti-corrosive properties of xanthone on mild steel corrosion in sulphuric acid: experimental and theoretical investigations. Curr. Appl. Phys. 2011, 11:382-392.
    • (2011) Curr. Appl. Phys. , vol.11 , pp. 382-392
    • Obot, I.B.1    Obi-Egbedi, N.O.2
  • 105
    • 84962430597 scopus 로고    scopus 로고
    • Chemical reactivity of atrazine employing the Fukui function
    • H Mendoza-Huizar L., Rios-Reyes C.H. Chemical reactivity of atrazine employing the Fukui function. J. Mex. Chem. Soc. 2011, 55(3):142-147.
    • (2011) J. Mex. Chem. Soc. , vol.55 , Issue.3 , pp. 142-147
    • Mendoza-Huizar, L.H.1    Rios-Reyes, C.H.2
  • 106
    • 0007627552 scopus 로고    scopus 로고
    • Chemical reactivity indexes in density functional theory
    • Chermette H. Chemical reactivity indexes in density functional theory. J. Comp. Chem. 1999, 20:129-154.
    • (1999) J. Comp. Chem. , vol.20 , pp. 129-154
    • Chermette, H.1
  • 108
    • 0343626600 scopus 로고
    • A new electroaffinity scale; together with data on valence states and on valence ionization potentials and electron affinities
    • Mulliken R.S. A new electroaffinity scale; together with data on valence states and on valence ionization potentials and electron affinities. J. Chem. Phys. 1934, 2:782-793.
    • (1934) J. Chem. Phys. , vol.2 , pp. 782-793
    • Mulliken, R.S.1
  • 110
    • 0022135674 scopus 로고
    • Hardness, softness and the Fukui function in the electronic theory of metals and catalysis
    • Yang W., Parr R.G. Hardness, softness and the Fukui function in the electronic theory of metals and catalysis. Proc. Natl. Acad. Sci. USA 1985, 82:6723-6726.
    • (1985) Proc. Natl. Acad. Sci. USA , vol.82 , pp. 6723-6726
    • Yang, W.1    Parr, R.G.2
  • 111
    • 0000058492 scopus 로고
    • Proof that δE/δni = {small element of}i in density functional theory
    • Janak J.F. Proof that δE/δni = {small element of}i in density functional theory. Phys. Rev. B 1978, 18:7165-7168.
    • (1978) Phys. Rev. B , vol.18 , pp. 7165-7168
    • Janak, J.F.1
  • 112
    • 13244262401 scopus 로고
    • Studies on electronegativity equalization: part 1. Consistent diatomic partial charges
    • Szentpaly L. Studies on electronegativity equalization: part 1. Consistent diatomic partial charges. J. Mol. Struct. (THEOCHEM) 1991, 233:61-71.
    • (1991) J. Mol. Struct. (THEOCHEM) , vol.233 , pp. 61-71
    • Szentpaly, L.1
  • 113
    • 1842691295 scopus 로고
    • Recent advances in the concept of hard and soft acids and bases
    • Pearson R.G. Recent advances in the concept of hard and soft acids and bases. J. Chem. Ed. 1987, 64:561-567.
    • (1987) J. Chem. Ed. , vol.64 , pp. 561-567
    • Pearson, R.G.1
  • 115
  • 116
    • 56749098152 scopus 로고    scopus 로고
    • The inhibitive effect of some tetrazole derivatives towards Al corrosion in acid solution: chemical, electrochemical and theoretical studies
    • Khaled K.F., Al-Qahtani M.M. The inhibitive effect of some tetrazole derivatives towards Al corrosion in acid solution: chemical, electrochemical and theoretical studies. Mater. Chem. Phys. 2009, 113:150-158.
    • (2009) Mater. Chem. Phys. , vol.113 , pp. 150-158
    • Khaled, K.F.1    Al-Qahtani, M.M.2
  • 117
    • 0345114077 scopus 로고
    • Hard and soft acids and bases
    • Pearson R.G. Hard and soft acids and bases. J. Am. Chem. Soc. 1963, 85:3533-3539.
    • (1963) J. Am. Chem. Soc. , vol.85 , pp. 3533-3539
    • Pearson, R.G.1
  • 119
    • 0037742281 scopus 로고    scopus 로고
    • Philicity: a unified treatment of chemical reactivity and selectivity
    • Chattaraj P.K., Maiti B., Sarkar U. Philicity: a unified treatment of chemical reactivity and selectivity. J. Phys. Chem. A 2003, 107:4973-4975.
    • (2003) J. Phys. Chem. A , vol.107 , pp. 4973-4975
    • Chattaraj, P.K.1    Maiti, B.2    Sarkar, U.3
  • 120
    • 0001659551 scopus 로고    scopus 로고
    • Molecular orbital theoretical studies of some organic corrosion inhibitors
    • Sastri V.S., Perumareddi J.R. Molecular orbital theoretical studies of some organic corrosion inhibitors. Corrosion 1997, 53:617-629.
    • (1997) Corrosion , vol.53 , pp. 617-629
    • Sastri, V.S.1    Perumareddi, J.R.2
  • 121
    • 13844295135 scopus 로고    scopus 로고
    • Corrosion inhibitors: correlation between electronic structure and efficiency
    • Lukovits I., Kálmán E., Zucchi F. Corrosion inhibitors: correlation between electronic structure and efficiency. Corrosion 2001, 57(1):3-8.
    • (2001) Corrosion , vol.57 , Issue.1 , pp. 3-8
    • Lukovits, I.1    Kálmán, E.2    Zucchi, F.3
  • 122
    • 84855574404 scopus 로고    scopus 로고
    • On the HSAB based estimate of charge transfer between adsorbates and metal surfaces
    • Kokaji A. On the HSAB based estimate of charge transfer between adsorbates and metal surfaces. Chem. Phys. 2012, 393:1-12.
    • (2012) Chem. Phys. , vol.393 , pp. 1-12
    • Kokaji, A.1
  • 123
    • 0035132307 scopus 로고    scopus 로고
    • Electronic structure principle and the atomic shell orbital theory
    • Chattaraj P.K., Maiti B. Electronic structure principle and the atomic shell orbital theory. J. Phys. Chem. A 2001, 105:511-513.
    • (2001) J. Phys. Chem. A , vol.105 , pp. 511-513
    • Chattaraj, P.K.1    Maiti, B.2
  • 124
    • 0001813942 scopus 로고
    • Atomic softness and electric dipole polarizability
    • Fuentealba P., Reyes O. Atomic softness and electric dipole polarizability. J. Mol. Struct. (THEOCHEM) 1993, 282:65-70.
    • (1993) J. Mol. Struct. (THEOCHEM) , vol.282 , pp. 65-70
    • Fuentealba, P.1    Reyes, O.2
  • 125
    • 0347008399 scopus 로고    scopus 로고
    • Popular electronic structure principles in a dynamical context
    • Chattaraj P.K., Sengupta S. Popular electronic structure principles in a dynamical context. J. Phys. Chem. 1996, 100:16126-16130.
    • (1996) J. Phys. Chem. , vol.100 , pp. 16126-16130
    • Chattaraj, P.K.1    Sengupta, S.2
  • 127
    • 0042534101 scopus 로고
    • Density functional approach to the frontier-electron theory of chemical reactivity
    • Parr R.G., Yang W. Density functional approach to the frontier-electron theory of chemical reactivity. J. Am. Chem. Soc. 1984, 106:4029-4035.
    • (1984) J. Am. Chem. Soc. , vol.106 , pp. 4029-4035
    • Parr, R.G.1    Yang, W.2
  • 128
    • 77955712563 scopus 로고    scopus 로고
    • Studies of iron corrosion inhibition using chemical, electrochemical and computational simulation techniques
    • Khaled K.F. Studies of iron corrosion inhibition using chemical, electrochemical and computational simulation techniques. Electrochim. Acta 2010, 55:6523-6532.
    • (2010) Electrochim. Acta , vol.55 , pp. 6523-6532
    • Khaled, K.F.1
  • 129
    • 10644261443 scopus 로고    scopus 로고
    • Computational simulation of the molecular structure and properties of heterocyclic organic compounds with possible corrosion inhibition properties
    • Rodriguez-Valdez I.M., Martinez-Villafane A., Glossman-Mitnik D. Computational simulation of the molecular structure and properties of heterocyclic organic compounds with possible corrosion inhibition properties. J. Mol. Struct. (THEOCHEM) 2005, 713:65-70.
    • (2005) J. Mol. Struct. (THEOCHEM) , vol.713 , pp. 65-70
    • Rodriguez-Valdez, I.M.1    Martinez-Villafane, A.2    Glossman-Mitnik, D.3
  • 130
    • 3543024536 scopus 로고    scopus 로고
    • CHIH-DFT determination of the molecular structure, infrared and ultraviolet spectra of potentially organic corrosion inhibitors
    • Rodriguez-Valdez I.M., Martinez-Villafane A., Glossman-Mitnik D. CHIH-DFT determination of the molecular structure, infrared and ultraviolet spectra of potentially organic corrosion inhibitors. J. Mol. Struct. (THEOCHEM) 2004, 681:83-90.
    • (2004) J. Mol. Struct. (THEOCHEM) , vol.681 , pp. 83-90
    • Rodriguez-Valdez, I.M.1    Martinez-Villafane, A.2    Glossman-Mitnik, D.3
  • 131
    • 33751087821 scopus 로고    scopus 로고
    • Computational simulations of the molecular structure and corrosion properties of amidoethyl, aminoethyl and hydroxyethyl imidazolines inhibitors
    • Rodriguez-Valdez I.M., Villamisar W., Casales M., Gonzalez-Rodriguez J.G., Martinez-Villafane A. Computational simulations of the molecular structure and corrosion properties of amidoethyl, aminoethyl and hydroxyethyl imidazolines inhibitors. Corros. Sci. 2006, 48:4053-4064.
    • (2006) Corros. Sci. , vol.48 , pp. 4053-4064
    • Rodriguez-Valdez, I.M.1    Villamisar, W.2    Casales, M.3    Gonzalez-Rodriguez, J.G.4    Martinez-Villafane, A.5
  • 132
    • 33751403192 scopus 로고    scopus 로고
    • Characterization of iron surface modified by 2-mercaptobenzothiazole self-assembled monolayers
    • Feng Y., Chen S., Zhang H., Li P., Wu I., Guo W. Characterization of iron surface modified by 2-mercaptobenzothiazole self-assembled monolayers. Appl. Surf. Sci. 2006, 253:2812-2819.
    • (2006) Appl. Surf. Sci. , vol.253 , pp. 2812-2819
    • Feng, Y.1    Chen, S.2    Zhang, H.3    Li, P.4    Wu, I.5    Guo, W.6
  • 134
    • 38649112236 scopus 로고    scopus 로고
    • Investigation of adsorption characteristics of methionine at mild steel/sulphuric acid interface: an experimental and theoretical study
    • Ozcan M., Karadag F., Dehri I. Investigation of adsorption characteristics of methionine at mild steel/sulphuric acid interface: an experimental and theoretical study. Colloids Surf. A: Physicochem. Eng. Aspects 2008, 316:55-61.
    • (2008) Colloids Surf. A: Physicochem. Eng. Aspects , vol.316 , pp. 55-61
    • Ozcan, M.1    Karadag, F.2    Dehri, I.3
  • 135
    • 0344519626 scopus 로고    scopus 로고
    • Electrochemical and quantum chemical studies on the formation of protective films by alkynols on iron
    • Lendvay-Gyorik G., Meszaros G., Lengyel B., Lendvay G. Electrochemical and quantum chemical studies on the formation of protective films by alkynols on iron. Corros. Sci. 2003, 45:1685-1702.
    • (2003) Corros. Sci. , vol.45 , pp. 1685-1702
    • Lendvay-Gyorik, G.1    Meszaros, G.2    Lengyel, B.3    Lendvay, G.4
  • 136
    • 6444226086 scopus 로고    scopus 로고
    • Electrochemical and quantum chemical studies of some sulphur-containing organic compounds as inhibitors for the acid corrosion of mild steel
    • Ozcan M., Dehri I. Electrochemical and quantum chemical studies of some sulphur-containing organic compounds as inhibitors for the acid corrosion of mild steel. Prog. Org. Coat. 2004, 51:181-187.
    • (2004) Prog. Org. Coat. , vol.51 , pp. 181-187
    • Ozcan, M.1    Dehri, I.2
  • 137
    • 4043140614 scopus 로고    scopus 로고
    • Organic sulphur-containing compounds as corrosion inhibitors for mild steel in acidic media: correlation between inhibition efficiency and chemical structure
    • Ozcan M., Dehri I., Erbil M. Organic sulphur-containing compounds as corrosion inhibitors for mild steel in acidic media: correlation between inhibition efficiency and chemical structure. Appl. Surf. Sci. 2004, 236:155-164.
    • (2004) Appl. Surf. Sci. , vol.236 , pp. 155-164
    • Ozcan, M.1    Dehri, I.2    Erbil, M.3
  • 138
    • 33646007039 scopus 로고    scopus 로고
    • The inhibition of mild steel corrosion in acidic solutions by 2,5-bis(4-pyridyl)-1,3,4-thiadiazole: structure-activity correlation
    • Lebrini M., Bentiss F., Vezin H., Lagrenee M. The inhibition of mild steel corrosion in acidic solutions by 2,5-bis(4-pyridyl)-1,3,4-thiadiazole: structure-activity correlation. Corros. Sci. 2006, 48:1279-1291.
    • (2006) Corros. Sci. , vol.48 , pp. 1279-1291
    • Lebrini, M.1    Bentiss, F.2    Vezin, H.3    Lagrenee, M.4
  • 139
    • 0036778763 scopus 로고    scopus 로고
    • 2,5-Bis(n-methoxyphenyl)-1,3,4-oxadiazoles used as corrosion inhibitors in acidic media: correlation between inhibition efficiency and chemical structure
    • Bentiss F., Traisnel M., Chaibi N., Mernari B., Vezin H., Lagrenee M. 2,5-Bis(n-methoxyphenyl)-1,3,4-oxadiazoles used as corrosion inhibitors in acidic media: correlation between inhibition efficiency and chemical structure. Corros. Sci. 2002, 44:2271-2289.
    • (2002) Corros. Sci. , vol.44 , pp. 2271-2289
    • Bentiss, F.1    Traisnel, M.2    Chaibi, N.3    Mernari, B.4    Vezin, H.5    Lagrenee, M.6
  • 140
    • 34447099855 scopus 로고    scopus 로고
    • The influence of some new 2,5-disubstituted 1,3,4-thiadiazoles on the corrosion behaviour of mild steel in 1 M HCl: AC impedance study and theoretical approach
    • Bentiss F., Lebrini M., Lagrenee M., Traisnel M., Elfarouk A., Vezin H. The influence of some new 2,5-disubstituted 1,3,4-thiadiazoles on the corrosion behaviour of mild steel in 1 M HCl: AC impedance study and theoretical approach. Electrochim. Acta 2007, 52:6865-6872.
    • (2007) Electrochim. Acta , vol.52 , pp. 6865-6872
    • Bentiss, F.1    Lebrini, M.2    Lagrenee, M.3    Traisnel, M.4    Elfarouk, A.5    Vezin, H.6
  • 141
    • 38849090737 scopus 로고    scopus 로고
    • Inhibitive properties, adsorption and a theoretical study of 3,5-bis(n-pyryridyl)-4-amino-1,2,4-triazoles as corrosion inhibitors for mild steel in perchloric acid
    • Lebrini M., Traisnel M., Lagrenee M., Mernari B., Bentiss F. Inhibitive properties, adsorption and a theoretical study of 3,5-bis(n-pyryridyl)-4-amino-1,2,4-triazoles as corrosion inhibitors for mild steel in perchloric acid. Corros. Sci. 2008, 50:473-479.
    • (2008) Corros. Sci. , vol.50 , pp. 473-479
    • Lebrini, M.1    Traisnel, M.2    Lagrenee, M.3    Mernari, B.4    Bentiss, F.5
  • 142
    • 3242685118 scopus 로고    scopus 로고
    • Experimental and theoretical study of 3-pyridyl-substituted 1,2,4-thiadiazole and 1,3,4-thiadiazole as corrosion inhibitors for mild steel in acidic media
    • Bentiss F., Lebrini M., Vezin H., Lagrenee M. Experimental and theoretical study of 3-pyridyl-substituted 1,2,4-thiadiazole and 1,3,4-thiadiazole as corrosion inhibitors for mild steel in acidic media. Mater. Chem. Phys. 2004, 87:18-23.
    • (2004) Mater. Chem. Phys. , vol.87 , pp. 18-23
    • Bentiss, F.1    Lebrini, M.2    Vezin, H.3    Lagrenee, M.4
  • 143
    • 33846332409 scopus 로고    scopus 로고
    • Understanding the adsorption of 4H-1,2,4-triazole derivatives on mild steel surface in molar hydrochloric acid
    • Bentiss F., Bouanis M., Mernari B., Traisnel M., Vezin H., Lagrenee M. Understanding the adsorption of 4H-1,2,4-triazole derivatives on mild steel surface in molar hydrochloric acid. Appl. Surf. Sci. 2007, 253:3696-3704.
    • (2007) Appl. Surf. Sci. , vol.253 , pp. 3696-3704
    • Bentiss, F.1    Bouanis, M.2    Mernari, B.3    Traisnel, M.4    Vezin, H.5    Lagrenee, M.6
  • 144
    • 33847689731 scopus 로고    scopus 로고
    • Experimental and theoretical study for corrosion inhibition of mild steel in normal hydrochloric acid solution by some new macrocyclic polyether compounds
    • Lebrini M., Lagrenee M., Vezin H., Traisnel M., Bentiss F. Experimental and theoretical study for corrosion inhibition of mild steel in normal hydrochloric acid solution by some new macrocyclic polyether compounds. Corros. Sci. 2007, 49:2254-2269.
    • (2007) Corros. Sci. , vol.49 , pp. 2254-2269
    • Lebrini, M.1    Lagrenee, M.2    Vezin, H.3    Traisnel, M.4    Bentiss, F.5
  • 147
    • 34548201909 scopus 로고    scopus 로고
    • Enhanced corrosion resistance of mild steel in normal sulfuric acid medium by 2,5-bis(n-thienyl)-1,3,4-thiadiazoles: electrochemical, X-ray photoelectron spectroscopy and theoretical studies
    • Lebrini M., Lagrenee M., Traisnel M., Gengembre I., Vezin H., Bentiss F. Enhanced corrosion resistance of mild steel in normal sulfuric acid medium by 2,5-bis(n-thienyl)-1,3,4-thiadiazoles: electrochemical, X-ray photoelectron spectroscopy and theoretical studies. Appl. Surf. Sci. 2007, 253:9267-9276.
    • (2007) Appl. Surf. Sci. , vol.253 , pp. 9267-9276
    • Lebrini, M.1    Lagrenee, M.2    Traisnel, M.3    Gengembre, I.4    Vezin, H.5    Bentiss, F.6
  • 148
    • 26844491671 scopus 로고    scopus 로고
    • QSAR study on N-containing corrosion inhibitors: quantum chemical approach assisted by topological index
    • Zhang S.G., Lei W., Xia M.X., Wang F.Y. QSAR study on N-containing corrosion inhibitors: quantum chemical approach assisted by topological index. J. Mol. Struct. (THEOCHEM) 2005, 732:173-182.
    • (2005) J. Mol. Struct. (THEOCHEM) , vol.732 , pp. 173-182
    • Zhang, S.G.1    Lei, W.2    Xia, M.X.3    Wang, F.Y.4
  • 149
    • 33847666373 scopus 로고    scopus 로고
    • Theoretical study of corrosion inhibition of amides and thiosemicarbazones
    • Kandemirli F., Sagdinc S. Theoretical study of corrosion inhibition of amides and thiosemicarbazones. Corros. Sci. 2007, 49:2118-2130.
    • (2007) Corros. Sci. , vol.49 , pp. 2118-2130
    • Kandemirli, F.1    Sagdinc, S.2
  • 150
    • 33646247865 scopus 로고    scopus 로고
    • Corrosion inhibitors part II: quantum chemical studies on the corrosion inhibitions of steel in acidic medium by some triazole, oxadiazole and thiadiazole derivatives
    • El Ashry E.H., El Nemr A., Essawy S.A., Ragab S. Corrosion inhibitors part II: quantum chemical studies on the corrosion inhibitions of steel in acidic medium by some triazole, oxadiazole and thiadiazole derivatives. Electrochim. Acta 2006, 51:3957-3968.
    • (2006) Electrochim. Acta , vol.51 , pp. 3957-3968
    • El Ashry, E.H.1    El Nemr, A.2    Essawy, S.A.3    Ragab, S.4
  • 151
    • 37349027315 scopus 로고    scopus 로고
    • Corrosion inhibitors part V: QSAR of benzimidazole and 2-substituted derivatives as corrosion inhibitors by using the quantum chemical parameters
    • El Ashry E.H., El Nemr A., Essawy S.A., Ragab S. Corrosion inhibitors part V: QSAR of benzimidazole and 2-substituted derivatives as corrosion inhibitors by using the quantum chemical parameters. Prog. Org. Coat. 2008, 61:11-20.
    • (2008) Prog. Org. Coat. , vol.61 , pp. 11-20
    • El Ashry, E.H.1    El Nemr, A.2    Essawy, S.A.3    Ragab, S.4
  • 153
    • 39849107029 scopus 로고    scopus 로고
    • Aminic nitrogen-bearing polydentate Schiff base compounds as corrosion inhibitors for iron in acidic media: a quantum chemical calculation
    • Ju H., Kai Z.P., Li Y. Aminic nitrogen-bearing polydentate Schiff base compounds as corrosion inhibitors for iron in acidic media: a quantum chemical calculation. Corros. Sci. 2008, 50:865-871.
    • (2008) Corros. Sci. , vol.50 , pp. 865-871
    • Ju, H.1    Kai, Z.P.2    Li, Y.3
  • 154
    • 27544501797 scopus 로고    scopus 로고
    • A simple and fast method for comparison of corrosion inhibition powers between pairs of pyridine derivatives molecules
    • Lashgari M., Arshadi M.R., Parsafar G.A. A simple and fast method for comparison of corrosion inhibition powers between pairs of pyridine derivatives molecules. Corros. Sci. Sect. (NACE) 2005, 61:778-783.
    • (2005) Corros. Sci. Sect. (NACE) , vol.61 , pp. 778-783
    • Lashgari, M.1    Arshadi, M.R.2    Parsafar, G.A.3
  • 155
    • 77955511873 scopus 로고    scopus 로고
    • A theoretical study of some hydroxamic acids as corrosion inhibitors for carbon steel
    • Gece G., Bilgic S. A theoretical study of some hydroxamic acids as corrosion inhibitors for carbon steel. Corros. Sci. 2010, 52:3304-3308.
    • (2010) Corros. Sci. , vol.52 , pp. 3304-3308
    • Gece, G.1    Bilgic, S.2
  • 156
    • 77953148497 scopus 로고    scopus 로고
    • Quantum chemical studies on the inhibiting effect of bipyrazoles on steel corrosion in HCl
    • Laarej K., Bouachrine M., Radi S., Kertit S., Hammouti B. Quantum chemical studies on the inhibiting effect of bipyrazoles on steel corrosion in HCl. E-J. Chem. 2010, 7(2):419-424.
    • (2010) E-J. Chem. , vol.7 , Issue.2 , pp. 419-424
    • Laarej, K.1    Bouachrine, M.2    Radi, S.3    Kertit, S.4    Hammouti, B.5
  • 157
    • 77955659348 scopus 로고    scopus 로고
    • Experimental, density functional theory calculations and molecular dynamics simulations to investigate the adsorption of some thiourea derivatives on iron surface in nitric acid solutions
    • Khaled K.F. Experimental, density functional theory calculations and molecular dynamics simulations to investigate the adsorption of some thiourea derivatives on iron surface in nitric acid solutions. Appl. Surf. Sci. 2010, 256:6753-6763.
    • (2010) Appl. Surf. Sci. , vol.256 , pp. 6753-6763
    • Khaled, K.F.1
  • 158
    • 80655128496 scopus 로고    scopus 로고
    • HSAB descriptors of thiadiazole derivatives calculated by DFT: possible relationship as mild steel corrosion inhibitors
    • Obot I.B., Obi-Egbedi N.O. HSAB descriptors of thiadiazole derivatives calculated by DFT: possible relationship as mild steel corrosion inhibitors. Der Pharm. Chem. 2009, 1(1):106-123.
    • (2009) Der Pharm. Chem. , vol.1 , Issue.1 , pp. 106-123
    • Obot, I.B.1    Obi-Egbedi, N.O.2
  • 160
    • 77950296672 scopus 로고    scopus 로고
    • Molecular modelling of the inhibition mechanism of 1-(2-aminoethyl)-2-alkyl-imidazole
    • Zhang J., Liu J., Yu W., Yan Y., You L., Liu L. Molecular modelling of the inhibition mechanism of 1-(2-aminoethyl)-2-alkyl-imidazole. Corros. Sci. 2010, 52:2059-2065.
    • (2010) Corros. Sci. , vol.52 , pp. 2059-2065
    • Zhang, J.1    Liu, J.2    Yu, W.3    Yan, Y.4    You, L.5    Liu, L.6
  • 161
    • 76649120859 scopus 로고    scopus 로고
    • Quantum chemical studies of some rhodanine azosulpha drugs as corrosion inhibitors for mild steel in acidic medium
    • Ebenso E.E., Arslan T., Kandemirli F., Caner N., Love I. Quantum chemical studies of some rhodanine azosulpha drugs as corrosion inhibitors for mild steel in acidic medium. Int. J. Quant. Chem. 2010, 110:1003-1018.
    • (2010) Int. J. Quant. Chem. , vol.110 , pp. 1003-1018
    • Ebenso, E.E.1    Arslan, T.2    Kandemirli, F.3    Caner, N.4    Love, I.5
  • 162
    • 66349084412 scopus 로고    scopus 로고
    • Quantum chemical studies on corrosion inhibition of some lactones on mild steel in acid media
    • Jamalizadeh E., Hosseini S.M.A., Jafari A.H. Quantum chemical studies on corrosion inhibition of some lactones on mild steel in acid media. Corros. Sci. 2009, 51:1428-1435.
    • (2009) Corros. Sci. , vol.51 , pp. 1428-1435
    • Jamalizadeh, E.1    Hosseini, S.M.A.2    Jafari, A.H.3
  • 163
    • 37849189540 scopus 로고    scopus 로고
    • DFT study of new bipyrazole derivatives and their activity as corrosion inhibitors
    • Wang H., Wang H., Wang X., Wang L., Liu A. DFT study of new bipyrazole derivatives and their activity as corrosion inhibitors. J. Mol. Model. 2007, 13:147-153.
    • (2007) J. Mol. Model. , vol.13 , pp. 147-153
    • Wang, H.1    Wang, H.2    Wang, X.3    Wang, L.4    Liu, A.5
  • 164
    • 23844557210 scopus 로고    scopus 로고
    • A new inhibitor for mild carbon steel: electrochemical and DFT studies
    • Cruz J., Pandiyan T., Garcia-Ochoa E. A new inhibitor for mild carbon steel: electrochemical and DFT studies. J. Electroanal. Chem. 2005, 583:8-16.
    • (2005) J. Electroanal. Chem. , vol.583 , pp. 8-16
    • Cruz, J.1    Pandiyan, T.2    Garcia-Ochoa, E.3
  • 165
    • 14744280353 scopus 로고    scopus 로고
    • CHIH-DFT theoretical study of isomeric thiatriazoles and their potential activity as corrosion inhibitors
    • Rodriguez-Valdez l.M., Martinez-Villafane A., Glossman-Mitnik D. CHIH-DFT theoretical study of isomeric thiatriazoles and their potential activity as corrosion inhibitors. J. Mol. Struct. (THEOCHEM) 2005, 716:61-65.
    • (2005) J. Mol. Struct. (THEOCHEM) , vol.716 , pp. 61-65
    • Rodriguez-Valdez, L.1    Martinez-Villafane, A.2    Glossman-Mitnik, D.3
  • 166
    • 77957262711 scopus 로고    scopus 로고
    • Computational simulation of the molecular structure of some triazole as inhibitors for the corrosion of metal surface
    • Awad M.K., Mustafa M.R., Abo Elnga M.M. Computational simulation of the molecular structure of some triazole as inhibitors for the corrosion of metal surface. J. Mol. Struct. (THEOCHEM) 2010, 959:66-74.
    • (2010) J. Mol. Struct. (THEOCHEM) , vol.959 , pp. 66-74
    • Awad, M.K.1    Mustafa, M.R.2    Abo Elnga, M.M.3
  • 167
    • 78751569899 scopus 로고    scopus 로고
    • Analysis of molecular electronic structure of imidazole- and benzimidazole-based inhibitors: a simple recipe for qualitative estimation of chemical hardness
    • Kovacevic N., Kokalj A. Analysis of molecular electronic structure of imidazole- and benzimidazole-based inhibitors: a simple recipe for qualitative estimation of chemical hardness. Corros. Sci. 2011, 53:909-921.
    • (2011) Corros. Sci. , vol.53 , pp. 909-921
    • Kovacevic, N.1    Kokalj, A.2
  • 168
    • 76649101061 scopus 로고    scopus 로고
    • L-Tryptophan as green corrosion inhibitor for low carbon steel in hydrochloric acid solution
    • Fu J.J., Li S.N., Cao L.H. l-Tryptophan as green corrosion inhibitor for low carbon steel in hydrochloric acid solution. J. Mater. Sci. 2010, 45:979-986.
    • (2010) J. Mater. Sci. , vol.45 , pp. 979-986
    • Fu, J.J.1    Li, S.N.2    Cao, L.H.3
  • 169
    • 84855302420 scopus 로고    scopus 로고
    • Adsorption and quantum chemical studies on the inhibition potentials of some formazan derivatives
    • Udhayakala P., Jayanthi A., Rajendiran T.V. Adsorption and quantum chemical studies on the inhibition potentials of some formazan derivatives. Der Pharm. Chem. 2011, 3(6):528-539.
    • (2011) Der Pharm. Chem. , vol.3 , Issue.6 , pp. 528-539
    • Udhayakala, P.1    Jayanthi, A.2    Rajendiran, T.V.3
  • 170
    • 84855471946 scopus 로고    scopus 로고
    • Investigation of 1-phenyl-3-methyl-5-pyrazolone as a corrosion inhibitor for mild steel in 1 M hydrochloric acid
    • Cao K., Li W., Yu L. Investigation of 1-phenyl-3-methyl-5-pyrazolone as a corrosion inhibitor for mild steel in 1 M hydrochloric acid. Int. J. Electrochem. Sci. 2012, 7:806-818.
    • (2012) Int. J. Electrochem. Sci. , vol.7 , pp. 806-818
    • Cao, K.1    Li, W.2    Yu, L.3
  • 171
    • 84862832430 scopus 로고    scopus 로고
    • Inhibition effect of 4-amino-antipyrine on the corrosion of copper in 3 wt.% NaCl solution
    • Hong S., Chen W., Luo H.Q., Li N.B. Inhibition effect of 4-amino-antipyrine on the corrosion of copper in 3 wt.% NaCl solution. Corros. Sci. 2012, 57:270-276.
    • (2012) Corros. Sci. , vol.57 , pp. 270-276
    • Hong, S.1    Chen, W.2    Luo, H.Q.3    Li, N.B.4
  • 172
    • 77953381932 scopus 로고    scopus 로고
    • Theoretical study of the inhibitive properties of a group of benzimidazoles
    • Li D., Zhang S., Bian H. Theoretical study of the inhibitive properties of a group of benzimidazoles. Int. J. Quant. Chem. 2010, 110:1772-1777.
    • (2010) Int. J. Quant. Chem. , vol.110 , pp. 1772-1777
    • Li, D.1    Zhang, S.2    Bian, H.3
  • 173
    • 84857652969 scopus 로고    scopus 로고
    • Broad spectrum corrosion inhibition: corrosion and microbial (SRB) growth inhibiting effects of Piper guineense extracts
    • Oguzie E.E., Ogukwe C.E., Ogbulie J.N., Nwanebu F.C., Adindu C.B., Udeze I.O., Oguzie K.L., Eze F.C. Broad spectrum corrosion inhibition: corrosion and microbial (SRB) growth inhibiting effects of Piper guineense extracts. J. Mater. Sci. 2012, 47:3592-3601.
    • (2012) J. Mater. Sci. , vol.47 , pp. 3592-3601
    • Oguzie, E.E.1    Ogukwe, C.E.2    Ogbulie, J.N.3    Nwanebu, F.C.4    Adindu, C.B.5    Udeze, I.O.6    Oguzie, K.L.7    Eze, F.C.8
  • 174
    • 79953197497 scopus 로고    scopus 로고
    • Theoretical challenges in understanding the inhibition mechanism of aluminum corrosion in basic media in the presence of some p-phenol derivatives
    • Lashgari M. Theoretical challenges in understanding the inhibition mechanism of aluminum corrosion in basic media in the presence of some p-phenol derivatives. Electrochim. Acta 2011, 56:3322-3327.
    • (2011) Electrochim. Acta , vol.56 , pp. 3322-3327
    • Lashgari, M.1
  • 175
    • 84867229519 scopus 로고    scopus 로고
    • A new cluster model based descriptor for structure-inhibition relationships: a study of the effects of benzimidazole, aniline and their derivatives on iron corrosion
    • Mousavi M., Safarizadeh H., Khosravan A. A new cluster model based descriptor for structure-inhibition relationships: a study of the effects of benzimidazole, aniline and their derivatives on iron corrosion. Corros. Sci. 2012, 65:249-257.
    • (2012) Corros. Sci. , vol.65 , pp. 249-257
    • Mousavi, M.1    Safarizadeh, H.2    Khosravan, A.3
  • 177
    • 78751572620 scopus 로고    scopus 로고
    • QSAR of lauric hydrazide and its salts as corrosion inhibitors by using the quantum chemical and topological descriptors
    • El Ashry E.H., Senior S.A. QSAR of lauric hydrazide and its salts as corrosion inhibitors by using the quantum chemical and topological descriptors. Corros. Sci. 2011, 53:1025-1034.
    • (2011) Corros. Sci. , vol.53 , pp. 1025-1034
    • El Ashry, E.H.1    Senior, S.A.2
  • 178
    • 84897113853 scopus 로고    scopus 로고
    • Theoretical evaluation of corrosion inhibition performance of imidazoline compounds with different hydrophilic groups
    • Zhang J., Qiao G., Hu S., Yan Y., Ren Z., Yu L. Theoretical evaluation of corrosion inhibition performance of imidazoline compounds with different hydrophilic groups. Corros. Sci. 2011, 56:176-183.
    • (2011) Corros. Sci. , vol.56 , pp. 176-183
    • Zhang, J.1    Qiao, G.2    Hu, S.3    Yan, Y.4    Ren, Z.5    Yu, L.6
  • 179
    • 84869005046 scopus 로고    scopus 로고
    • Molecular-level understanding of the inhibition efficiency of some inhibitors of zinc corrosion by quantum chemical approach
    • Gece G., Bilgic S. Molecular-level understanding of the inhibition efficiency of some inhibitors of zinc corrosion by quantum chemical approach. Ind. Eng. Chem. Res. 2012, 51:14115-14120.
    • (2012) Ind. Eng. Chem. Res. , vol.51 , pp. 14115-14120
    • Gece, G.1    Bilgic, S.2
  • 180
    • 84865479654 scopus 로고    scopus 로고
    • Correlation between the molecular structure and the inhibiting effects of some benzimidazole derivatives
    • Niamien P.M., Essy F.K., Trokourey A., Yapi A., Aka H.K., Diabate D. Correlation between the molecular structure and the inhibiting effects of some benzimidazole derivatives. Mater. Chem. Phys. 2012, 136:59-65.
    • (2012) Mater. Chem. Phys. , vol.136 , pp. 59-65
    • Niamien, P.M.1    Essy, F.K.2    Trokourey, A.3    Yapi, A.4    Aka, H.K.5    Diabate, D.6
  • 181
    • 84859419535 scopus 로고    scopus 로고
    • Electroanalytical, surface morphological and theoretical studies on the corrosion inhibition behavior of different 1,2,4-triazole precursors on mild steel in 1 M hydrochloric acid
    • John S., Joseph A. Electroanalytical, surface morphological and theoretical studies on the corrosion inhibition behavior of different 1,2,4-triazole precursors on mild steel in 1 M hydrochloric acid. Mater. Chem. Phys. 2012, 133:1083-1091.
    • (2012) Mater. Chem. Phys. , vol.133 , pp. 1083-1091
    • John, S.1    Joseph, A.2
  • 182
    • 84857041656 scopus 로고    scopus 로고
    • On the nature of inhibition performance of imidazole on iron surface
    • Mendes J.O., Da Silva E.C., Rocha A.B. On the nature of inhibition performance of imidazole on iron surface. Corros. Sci. 2012, 57:254-259.
    • (2012) Corros. Sci. , vol.57 , pp. 254-259
    • Mendes, J.O.1    Da Silva, E.C.2    Rocha, A.B.3
  • 184
    • 84864317470 scopus 로고    scopus 로고
    • Density functional theory study of imidazole, benzimidazole and 2-mercaptobenzimidazole adsorption onto clean Cu(111) surface
    • Sun S., Geng Y., Tian L., Chen S., Yan Y., Hu S. Density functional theory study of imidazole, benzimidazole and 2-mercaptobenzimidazole adsorption onto clean Cu(111) surface. Corros. Sci. 2012, 63:140-147.
    • (2012) Corros. Sci. , vol.63 , pp. 140-147
    • Sun, S.1    Geng, Y.2    Tian, L.3    Chen, S.4    Yan, Y.5    Hu, S.6
  • 185
    • 84863110418 scopus 로고    scopus 로고
    • Natural products for materials protection: mechanism of corrosion inhibition of mild steel by acid extracts of Piper guineense
    • Oguzie E.E., Adindu C.B., Enenebeaku C.K., Ogukwe C.E., Chidiebere M.A., Oguzie K.L. Natural products for materials protection: mechanism of corrosion inhibition of mild steel by acid extracts of Piper guineense. J. Phys. Chem. C 2012, 116:13603-13615.
    • (2012) J. Phys. Chem. C , vol.116 , pp. 13603-13615
    • Oguzie, E.E.1    Adindu, C.B.2    Enenebeaku, C.K.3    Ogukwe, C.E.4    Chidiebere, M.A.5    Oguzie, K.L.6
  • 186
    • 83455169060 scopus 로고    scopus 로고
    • DFT study of interaction of azoles with Cu(111) and Al(111) surfaces: role of azole nitrogen atoms and dipole-dipole interactions
    • Kovacevic N., Kokalj A. DFT study of interaction of azoles with Cu(111) and Al(111) surfaces: role of azole nitrogen atoms and dipole-dipole interactions. J. Phys. Chem. C 2011, 115:24189-24197.
    • (2011) J. Phys. Chem. C , vol.115 , pp. 24189-24197
    • Kovacevic, N.1    Kokalj, A.2
  • 187
    • 84862579451 scopus 로고    scopus 로고
    • Electrochemical investigation of substituted pyranopyrazoles adsorption on mild steel in acid solution
    • Yadav D.K., Quraishi M.A. Electrochemical investigation of substituted pyranopyrazoles adsorption on mild steel in acid solution. Ind. Eng. Chem. Res. 2012, 51:8194-8210.
    • (2012) Ind. Eng. Chem. Res. , vol.51 , pp. 8194-8210
    • Yadav, D.K.1    Quraishi, M.A.2
  • 188
    • 84869450623 scopus 로고    scopus 로고
    • Application of some condensed uracils as corrosion inhibitors for mild steel: gravimetric, electrochemical, surface morphological, UV-visible, and theoretical investigations
    • Yadav D.K., Quraishi M.A. Application of some condensed uracils as corrosion inhibitors for mild steel: gravimetric, electrochemical, surface morphological, UV-visible, and theoretical investigations. Ind. Eng. Chem. Res. 2012, 51:14966-14979.
    • (2012) Ind. Eng. Chem. Res. , vol.51 , pp. 14966-14979
    • Yadav, D.K.1    Quraishi, M.A.2
  • 189
    • 84867038158 scopus 로고    scopus 로고
    • Electrochemical and quantum chemical investigation of some azine and thiazine dyes as potential corrosion inhibitors for mild steel in hydrochloric acid solution
    • Ebenso E.E., Kabanda M.M., Murulana L.C., Singh A.K., Shukla S.K. Electrochemical and quantum chemical investigation of some azine and thiazine dyes as potential corrosion inhibitors for mild steel in hydrochloric acid solution. Ind. Eng. Chem. Res. 2012, 51:12940-12958.
    • (2012) Ind. Eng. Chem. Res. , vol.51 , pp. 12940-12958
    • Ebenso, E.E.1    Kabanda, M.M.2    Murulana, L.C.3    Singh, A.K.4    Shukla, S.K.5
  • 190
    • 84861073226 scopus 로고    scopus 로고
    • Experimental and theoretical study on the inhibition performances of quinoxaline and its derivatives for the corrosion of mild steel in hydrochloric acid
    • Fu J., Zang H., Wang Y., Li S., Chen T., Liu X. Experimental and theoretical study on the inhibition performances of quinoxaline and its derivatives for the corrosion of mild steel in hydrochloric acid. Ind. Eng. Chem. Res. 2012, 51:6377-6386.
    • (2012) Ind. Eng. Chem. Res. , vol.51 , pp. 6377-6386
    • Fu, J.1    Zang, H.2    Wang, Y.3    Li, S.4    Chen, T.5    Liu, X.6
  • 191
    • 84860149998 scopus 로고    scopus 로고
    • Corrosion inhibition and adsorption behavior of Punica granatum extract on mild steel in acidic environments: experimental and theoretical studies
    • Chidiebere M.A., Ogukwe C.E., Oguzie K.L., Eneh C.N., Oguzie E.E. Corrosion inhibition and adsorption behavior of Punica granatum extract on mild steel in acidic environments: experimental and theoretical studies. Ind. Eng. Chem. Res. 2012, 51:668-677.
    • (2012) Ind. Eng. Chem. Res. , vol.51 , pp. 668-677
    • Chidiebere, M.A.1    Ogukwe, C.E.2    Oguzie, K.L.3    Eneh, C.N.4    Oguzie, E.E.5
  • 192
    • 84867660595 scopus 로고    scopus 로고
    • Experimental and quantum chemical studies of some bis(trifluoromethyl-sulfonyl) imide imidazolium-based ionic liquids as corrosion inhibitors for mild steel in hydrochloric acid solution
    • Murulana L.C., Singh A.K., Shukla S.K., Kabanda M.M., Ebenso E.E. Experimental and quantum chemical studies of some bis(trifluoromethyl-sulfonyl) imide imidazolium-based ionic liquids as corrosion inhibitors for mild steel in hydrochloric acid solution. Ind. Eng. Chem. Res. 2012, 51:13282-13299.
    • (2012) Ind. Eng. Chem. Res. , vol.51 , pp. 13282-13299
    • Murulana, L.C.1    Singh, A.K.2    Shukla, S.K.3    Kabanda, M.M.4    Ebenso, E.E.5
  • 193
    • 84862736642 scopus 로고    scopus 로고
    • Quantum chemical studies on the corrosion inhibition of mild steel by some triazoles and benzimidazole derivatives in acidic medium
    • Kabanda M.M., Lutendo C., Murulana L.C., Ozcan M., Karadag F., Dehri I., Obot I.B., Ebenso E.E. Quantum chemical studies on the corrosion inhibition of mild steel by some triazoles and benzimidazole derivatives in acidic medium. Int. J. Electrochem. Sci. 2012, 7:5035-5056.
    • (2012) Int. J. Electrochem. Sci. , vol.7 , pp. 5035-5056
    • Kabanda, M.M.1    Lutendo, C.2    Murulana, L.C.3    Ozcan, M.4    Karadag, F.5    Dehri, I.6    Obot, I.B.7    Ebenso, E.E.8
  • 196
    • 84861956595 scopus 로고    scopus 로고
    • Performance and theoretical study on corrosion inhibition of 2-(4-pyridyl)-benzimidazole for mild steel in hydrochloric acid
    • Zhang F., Tang Y., Cao Z., Jing W., Wu Z., Chen Y. Performance and theoretical study on corrosion inhibition of 2-(4-pyridyl)-benzimidazole for mild steel in hydrochloric acid. Corros. Sci. 2012, 61:1-9.
    • (2012) Corros. Sci. , vol.61 , pp. 1-9
    • Zhang, F.1    Tang, Y.2    Cao, Z.3    Jing, W.4    Wu, Z.5    Chen, Y.6
  • 197
    • 84857042465 scopus 로고    scopus 로고
    • Novel triazolyl bis-amino acid derivatives readily synthesized via click chemistry as potential corrosion inhibitors for mild steel in HCl
    • Deng, Shi H., Ding N., Chen B., He X., Liu G., Tang Y., Long Y., Chen G. Novel triazolyl bis-amino acid derivatives readily synthesized via click chemistry as potential corrosion inhibitors for mild steel in HCl. Corros. Sci. 2012, 57:220-227.
    • (2012) Corros. Sci. , vol.57 , pp. 220-227
    • Deng, Q.1    Shi, H.2    Ding, N.3    Chen, B.4    He, X.5    Liu, G.6    Tang, Y.7    Long, Y.8    Chen, G.9
  • 198
    • 84876488473 scopus 로고    scopus 로고
    • Experimental, quantum chemical calculations, and molecular dynamic simulations insight into the corrosion inhibition properties of 2-(6-methylpyridin-2-yl)oxazolo [5,4-f][1,10]phenanthroline on mild steel
    • Obot I.B., Obi-Egbedi N.O., Ebenso E.E., Afolabi A.S., Oguzie E.E. Experimental, quantum chemical calculations, and molecular dynamic simulations insight into the corrosion inhibition properties of 2-(6-methylpyridin-2-yl)oxazolo [5,4-f][1,10]phenanthroline on mild steel. Res. Chem. Intermed. 2012, 1927-1948.
    • (2012) Res. Chem. Intermed. , pp. 1927-1948
    • Obot, I.B.1    Obi-Egbedi, N.O.2    Ebenso, E.E.3    Afolabi, A.S.4    Oguzie, E.E.5


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