SCOPUS 정보 검색 플랫폼

Research on Chemical Intermediates

Volumn 38, Issue 8, 2012, Pages 2009-2023

Theoretical study of the corrosion inhibition of some bipyrazolic derivatives: A conceptual DFT investigation

(5) Boussalah, N a Ghalem, S a Kadiri, S El b Hammouti, B b Touzani, R b

a UNIVERSITY OF TLEMCEN (Algeria)

b FACULTÉ DES SCIENCES (Morocco)

Author keywords

Bipyrazole; Corrosion inhibition; DFT derived indices; Hardness; Nucleophilicity

Indexed keywords

B3LYP/6-31G; BIPYRAZOLES; CORROSION INHIBITION; CORROSION INHIBITION EFFICIENCY; DENSITY FUNCTIONAL THEORIES (DFT); DFT-DERIVED INDICES; ELECTRONIC CHEMICAL POTENTIAL; FRONTIER ORBITAL ENERGIES; INHIBITION EFFECT; NUCLEOPHILICITIES; POLARIZABILITIES; QUANTUM CHEMISTRY CALCULATIONS; REACTIVITY INDICES; THEORETICAL RESULT; THEORETICAL STUDY;

CORROSION INHIBITORS; DENSITY FUNCTIONAL THEORY; HARDNESS; QUANTUM CHEMISTRY;

CORROSION PREVENTION;

EID: 84871087325 PISSN: 09226168 EISSN: 15685675 Source Type: Journal
DOI: 10.1007/s11164-012-0522-0 Document Type: Article

Times cited : (30)

References (43)

1
- 0003025210
- B. Lupo, G. Tarrago, Bull. Soc. Chim. Fr. 2, 473 (1984)
- (1984) Bull. Soc. Chim. Fr. , vol.2 , pp. 473
- Lupo, B.¹ Tarrago, G.²

2
- 0019609660
- J. Imai, T. Nakajima, M. Ueda, J. Polym. Sci. Polym. Chem. Ed. 19, 2161 (1981)
- (1981) J. Polym. Sci. Polym. Chem. Ed. , vol.19 , pp. 2161
- Imai, J.¹ Nakajima, T.² Ueda, M.³

3
- 0002377605
- B. Hammouti, R. Salghi, S. Kertit, J. Electrochem. Soc. India 47, 31 (1998)
- (1998) J. Electrochem. Soc. India , vol.47 , pp. 31
- Hammouti, B.¹ Salghi, R.² Kertit, S.³

4
- 2542491830
- B. Hammouti, A. Aouniti, M. Taleb, S. Kertit, Corrosion 51, 411 (1995)
- (1995) Corrosion , vol.51 , pp. 411
- Hammouti, B.¹ Aouniti, A.² Taleb, M.³ Kertit, S.⁴

5
- 0001098877
- E. Touhami, B. Hammouti, A. Aouniti, S. Kertit, Ann. Chim. Sci. Mat 24, 581 (1999)
- (1999) Ann. Chim. Sci. Mat , vol.24 , pp. 581
- Touhami, E.¹ Hammouti, B.² Aouniti, A.³ Kertit, S.⁴

6
- 84871048992
- F. Touhami, A. Aouniti, Y. Abed, B. Hammouti, S. Kertit, A. Ramdani, K. Kacemi, Corros. Sci. 42, 29 (2000)
- (2000) Corros. Sci. , vol.42 , pp. 29
- Touhami, F.¹ Aouniti, A.² Abed, Y.³ Hammouti, B.⁴ Kertit, S.⁵ Ramdani, A.⁶ Kacemi, K.⁷

7
- 0035959232
- Theochem
- G. Bereket, C. Ogretir, A. Yurt, J. Mol. Struct. (Theochem) 571, 139 (2001)
- (2001) J. Mol. Struct. , vol.571 , pp. 139
- Bereket, G.¹ Ogretir, C.² Yurt, A.³

8
- 0038730546
- N. Khalil, Electrochim. Acta 48, 2635 (2003)
- (2003) Electrochim. Acta , vol.48 , pp. 2635
- Khalil, N.¹

9
- 34447102740
- J.M. Costa, J.M. Lluch, Corros. Sci. 24, 924 (1984)
- (1984) Corros. Sci. , vol.24 , pp. 924
- Costa, J.M.¹ Lluch, J.M.²

10
- 15344341316
- K.F. Khaled, K. Basic-Samardzija, N. Hackerman, Electrochim. Acta 50, 2515 (2005)
- (2005) Electrochim. Acta , vol.50 , pp. 2515
- Khaled, K.F.¹ Basic-Samardzija, K.² Hackerman, N.³

11
- 33847630724
- M.M. El-Naggar, Corros. Sci. 49, 2226 (2007)
- (2007) Corros. Sci. , vol.49 , pp. 2226
- El-Naggar, M.M.¹

12
- 58049211804
- T. Arslan, F. Kandemirli, E.E. Ebenso, I. Love, Corros. Sci. 51, 35 (2009)
- (2009) Corros. Sci. , vol.51 , pp. 35
- Arslan, T.¹ Kandemirli, F.² Ebenso, E.E.³ Love, I.⁴

13
- 0037241494
- H. Mayr, B. Kempf, A. Ofial, Acc. Chem. Res. 36, 66 (2003)
- (2003) Acc. Chem. Res. , vol.36 , pp. 66
- Mayr, H.¹ Kempf, B.² Ofial, A.³

14
- 0040942563
- R.G. Parr, L.V. Szentpaly, S. Liu, J. Am. Chem. Soc. 121, 1922 (1999)
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 1922
- Parr, R.G.¹ Szentpaly, L.V.² Liu, S.³

15
- 45249094743
- L.R. Domingo, E. Chamorro, P. Pérez, J. Org. Chem. 73, 4615 (2008)
- (2008) J. Org. Chem. , vol.73 , pp. 4615
- Domingo, L.R.¹ Chamorro, E.² Pérez, P.³

16
- 50349093158
- Theochem
- P. Jaramillo, L.R. Domingo, E. Chamorro, P. Pérez, J. Mol. Struct. (Theochem) 865, 68 (2008)
- (2008) J. Mol. Struct. , vol.865 , pp. 68
- Jaramillo, P.¹ Domingo, L.R.² Chamorro, E.³ Pérez, P.⁴

17
- 79961150699
- Theochem
- P. Pérez, L.R. Domingo, M. Duque-Noreña, E. Chamorro, J. Mol. Struct. (Theochem) 86, 895 (2009)
- (2009) J. Mol. Struct. , vol.86 , pp. 895
- Pérez, P.¹ Domingo, L.R.² Duque-Noreña, M.³ Chamorro, E.⁴

18
- 0036278914
- A. Dafali, B. Hammouti, R. Touzani, S. Kertit, A. Ramdani, K. El Kacimi, Anti Corros. Methods Mater. 49, 96 (2002)
- (2002) Anti Corros. Methods Mater. , vol.49 , pp. 96
- Dafali, A.¹ Hammouti, B.² Touzani, R.³ Kertit, S.⁴ Ramdani, A.⁵ El Kacimi, K.⁶

19
- 0003438540
- 3rd edn., Cornell University Press, Ithaca
- L. Pauling, The nature of the chemical bond, 3rd edn. (Cornell University Press, Ithaca, 1960)
- (1960) The Nature of the Chemical Bond
- Pauling, L.¹

20
- 34848916810
- Springer, Berlin
- K.D. Sen, C. Jorgenson, Structure and bonding: electronegativity, vol. 66 (Springer, Berlin, 1987)
- (1987) Structure and Bonding: Electronegativity , vol.66
- Sen, K.D.¹ Jorgenson, C.²

21
- 0003410662
- Springer, Berlin
- K.D. Sen, D.M.P. Mingos, Structure and bonding: chemical hardness, vol. 80 (Springer, Berlin, 1993)
- (1993) Structure and Bonding: Chemical Hardness , vol.80
- Sen, K.D.¹ Mingos, D.M.P.²

22
- 0003569570
- Oxford University Press, Oxford
- R.G. Parr, W. Yang, Density functional theory of atoms and molecules (Oxford University Press, Oxford, 1989)
- (1989) Density Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

23
- 0038661201
- P. Geerlings, F. de Proft, W. Langenaeker, Chem. Rev. 103, 1793 (2003)
- (2003) Chem. Rev. , vol.103 , pp. 1793
- Geerlings, P.¹ De Proft, F.² Langenaeker, W.³

24
- 0007627552
- H. Chermette, J. Comput. Chem. 20, 129 (1999)
- (1999) J. Comput. Chem. , vol.20 , pp. 129
- Chermette, H.¹

25
- 36749117171
- R.G. Parr, R.A. Donnelly, M. Levy, W. Palke, J. Chem. Phys. 68, 3801 (1978)
- (1978) J. Chem. Phys. , vol.68 , pp. 3801
- Parr, R.G.¹ Donnelly, R.A.² Levy, M.³ Palke, W.⁴

26
- 10644250257
- P. Hohenberg, Kohn, Phys. Rev. B. 136, 864 (1964)
- (1964) Phys. Rev. B. , vol.136 , pp. 864
- Hohenberg, P.¹ Kohn²

27
- 0042113153
- W. Kohn, L. Sham, J. Phys. Rev. A. 140, 1133 (1965)
- (1965) J. Phys. Rev. A. , vol.140 , pp. 1133
- Kohn, W.¹ Sham, L.²

28
- 0347291894
- R.G. Parr, R.G. Pearson, J. Am. Chem. Soc. 105, 7512 (1983)
- (1983) J. Am. Chem. Soc. , vol.105 , pp. 7512
- Parr, R.G.¹ Pearson, R.G.²

29
- 85013708611
- Elsevier, Oxford
- P. Lucjan, Ideas of quantum chemistry (Elsevier, Oxford, 2007)
- (2007) Ideas of Quantum Chemistry
- Lucjan, P.¹

30
- 0042534101
- R.G. Parr, W. Yang, J. Am. Chem. Soc. 106, 4049 (1984)
- (1984) J. Am. Chem. Soc. , vol.106 , pp. 4049
- Parr, R.G.¹ Yang, W.²

31
- 33845375966
- W. Yang, W. Mortier, J. Am. Chem. Soc. 108, 5708 (1986)
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 5708
- Yang, W.¹ Mortier, W.²

32
- 0001695784
- R.K. Roy, S. Pal, K. Hirao, J. Chem. Phys. 110, 8236 (1999)
- (1999) J. Chem. Phys. , vol.110 , pp. 8236
- Roy, R.K.¹ Pal, S.² Hirao, K.³

33
- 0034246593
- P. Fuentealba, P. Pérez, R. Contreras, J. Chem. Phys. 113, 2544 (2000)
- (2000) J. Chem. Phys. , vol.113 , pp. 2544
- Fuentealba, P.¹ Pérez, P.² Contreras, R.³

34
- 15744375697
- Gaussian, Inc., Wallingford
- M.J. Frisch et al., Gaussian 03, Revision C.02 (Gaussian, Inc., Wallingford, 2004)
- (2004) Gaussian 03, Revision C.02
- Frisch, M.J.¹

35
- 84986439201
- H.B. Schlegel, J. Comput. Chem. 3, 214 (1982)
- (1982) J. Comput. Chem. , vol.3 , pp. 214
- Schlegel, H.B.¹

36
- 0003354199
- Geometry optimization on potential energy surface
- ed. by D.R. Yarkony, World Scientific, Singapore
- H.B. Schlegel, Geometry optimization on potential energy surface, in Modern electronic structure theory, ed. by D.R. Yarkony (World Scientific, Singapore, 1994)
- (1994) Modern Electronic Structure Theory
- Schlegel, H.B.¹

37
- 84986513567
- C.M. Breneman, K.B. Wiberg, J Comp Chem. 11, 361 (1990)
- (1990) J Comp Chem , vol.11 , pp. 361
- Breneman, C.M.¹ Wiberg, K.B.²

38
- 63849095924
- A. Attayibat, R. Touzani, S. Radi, S. El Kadiri, S.S. Abdelli, S. Ghalem, Asian J. Chem. 21, 105 (2009)
- (2009) Asian J. Chem. , vol.21 , pp. 105
- Attayibat, A.¹ Touzani, R.² Radi, S.³ El Kadiri, S.⁴ Abdelli, S.S.⁵ Ghalem, S.⁶

39
- 0035997952
- A. El Ouafi, B. Hammouti, H. Oudda, S. Kertit, R. Touzani, A. Ramdani, Anti Corros. Methods Mater. 49, 199 (2002)
- (2002) Anti Corros. Methods Mater. , vol.49 , pp. 199
- El Ouafi, A.¹ Hammouti, B.² Oudda, H.³ Kertit, S.⁴ Touzani, R.⁵ Ramdani, A.⁶

40
- 84155170973
- J. Li, H. Li, M. Jakobsson, S. Li, P. Sjödin, M. Lascoux, Mol. Ecol. 21, 28 (2012)
- (2012) Mol. Ecol. , vol.21 , pp. 28
- Li, J.¹ Li, H.² Jakobsson, M.³ Li, S.⁴ Sjödin, P.⁵ Lascoux, M.⁶

41
- 80455178907
- K. Yamamoto, T. Irimura, J. Biochem. 150, 477 (2011)
- (2011) J. Biochem. , vol.150 , pp. 477
- Yamamoto, K.¹ Irimura, T.²

42
- 83155191143
- X. Zhao, Y. Wang, Q. Chen, M. Zhang, N. Zhao, Comput. Mater. Sci. 54, 119 (2012)
- (2012) Comput. Mater. Sci. , vol.54 , pp. 119
- Zhao, X.¹ Wang, Y.² Chen, Q.³ Zhang, M.⁴ Zhao, N.⁵

43
- 82755160612
- V. Balachandran, A. Lakshmi, A. Janaki, J. Mol. Struct. 1006, 395 (2011)
- (2011) J. Mol. Struct. , vol.1006 , pp. 395
- Balachandran, V.¹ Lakshmi, A.² Janaki, A.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.