[1] T.P. Swiler, R.E. Loehman, Acta Materialia, 2000, 48, 4419-4424.
[2] A. Kornherr, S.A. French, A.A. Sokol, C.R.A. Catlow, S. Hansal, W.E.G. Hansal, J.O. Besenhard, H. Kronberger, G.E. Nauer, G. Zifferer, Chemical Physics Letters, 2004, 393, 107-111.
[3] A. Kornherr, S. Hansal, W.E.G. Hansal, J.O. Besenhard, H. Kronberger, G.E. Nauer,G. Zifferer, The Journal of Chemical Physics, 2003, 119, 9719-9728.
[4] K.F. Khaled, A.M. El-Sherik, International Journal of Electrochemical Scince, 2013, 8, 10022-10043.
[5] G. Gece, Corrosion Science, 2008, 50, 2981-2992.
[6] I.B. Obot,N.O. Obi-Egbedi, Corrosion Science, 2010, 52, 657-660.
[7] A.Y. Musa, A.A.H. Kadhum, A.B. Mohamad, M.S. Takriff, Corrosion Science, 2010, 52, 3331-3340.
[8] H. Ju, Z.-P. Kai,Y. Li, Corrosion Science, 2008, 50, 865-871.
[9] E.E. Ebenso, D.A. Isabirye, N.O. Eddy, Int J Mol Sci, 2010, 11, 2473-2498.
[10] T. Arslan, F. Kandemirli, E.E. Ebenso, I. Love, H. Alemu, Corrosion Science, 2009, 51, 35-47.
[11] J.M. Roque, T. Pandiyan, J. Cruz, E. García-Ochoa, Corrosion Science, 2008, 50, 614-624.
[12] M.S. Masoud, M.K. Awad, M.A. Shaker, M.M.T. El-Tahawy, Corrosion Science, 2010, 52, 2387-2396.
[13] A. Popova, M. Christov, A. Zwetanova, Corrosion Science, 2007, 49, 2131-2143.
[14] M.K. Awad, R.M. Issa,F.M. Atlam, Materials and Corrosion, 2009, 60, 813-819.
[15] R.M. Issa, M.K. Awad, F.M. Atlam, Materials and Corrosion, 2010, 61, 709-714.
[16] G. Gece, Materials and Corrosion, 2013, 64, 940-944.
[17] M. Dehdab, Z. Yavari, M. Darijani, A. Bargahi, Desalination, 2016, 400, 7-17.
[18] M. Dehdab, M. Shahraki,S.M. Habibi-Khorassani, Amino Acids, 2016, 48, 291-306.
[19] N. Esmaeili, J. Neshati, I. Yavari, Journal of Industrial and Engineering Chemistry, 2015, 22, 159-163.
[20] A.D. Becke, Phys Rev A, 1988, 38, 3098-3100.
[21] A.D. Becke, The Journal of Chemical Physics, 1993, 98, 5648-5652.
[22] C. Lee, W. Yang, R.G. Parr, Physical Review B, 1988, 37, 785-789.
[23] M.J.T. Frisch, G. W. Schlegel, H. B. Scuseria, G.E. Robb, M.A. Cheeseman, J.R. Montgomery, Jr., J.A. Vreven, T. Kudin, K.N. Burant, J.C. Millam, J.M. Iyengar, S.S. Tomasi, J. Barone, V. Mennucci, B. Cossi, M. Scalmani, G. Rega, N. Petersson, G.A. Nakatsuji, H. Hada, M. Ehara, M. Toyota, K. Fukuda, R. Hasegawa, J. Ishida, M. Nakajima, T. Honda, Y. Kitao, O. Nakai, H. Klene, M. Li, X. Knox, J.E. Hratchian, H.P. Cross, J.B. Bakken, V. Adamo, C. Jaramillo, J. Gomperts, R. Stratmann, R.E. Yazyev, O. Austin, A.J. Cammi, R. Pomelli, C. Ochterski, J.W. Ayala, P.Y. Morokuma, K. Voth, G.A. Salvador, P. Dannenberg, J.J. Zakrzewski, V.G. Dapprich, S. Daniels, A.D. Strain, M.C. Farkas, O. Malick, D.K. Rabuck, A.D. Raghavachari, K. Foresman, J.B. Ortiz, J.V. Cui, Q. Baboul, A.G. Clifford, S. Cioslowski, J. Stefanov, B.B. Liu, G. Liashenko, A. Piskorz, P. Komaromi, I. Martin, R.L. Fox, D.J. Keith, T. Al-Laham, M.A. Peng, C.Y. Nanayakkara, A. Challacombe, M. Gill, P.M.W. Johnson, B. Chen, W. Wong, M.W. Gonzalez, C. Pople, J.A., Gaussian 03, Revision C.02(Gaussian, Inc., Wallingford CT), 2004.
[24] S. Miertuš, E. Scrocco,J. Tomasi, Chemical Physics, 1981, 55, 117-129.
[25] R.G. Parr,W. Yang, Density Functional Theory of Atoms and Molecules, (Oxford University Press, Oxford), 1989.
[26] R.G. Parr,R.G. Pearson, Journal of the American Chemical Society, 1983, 105, 7512-7516.
[27] T. Koopmans, Physica, 1934, 1, 104-113.
[28] C.-G. Zhan, J.A. Nichols, D.A. Dixon, The Journal of Physical Chemistry A, 2003, 107, 4184-4195.
[29] R.G. Parr, L.V. Szentpály,S. Liu, Journal of the American Chemical Society, 1999, 121, 1922-1924.
[30] A.T. Maynard, M. Huang, W.G. Rice, D.G. Covell, Proc Natl Acad Sci U S A, 1998, 95, 11578-11583.
[31] R.G. Pearson, Inorganic Chemistry, 1988, 27, 734-740.
[32] K.F. Khaled, Electrochimica Acta, 2010, 55, 6523-6532.
[33] N. Kovačević,A. Kokalj, The Journal of Physical Chemistry C, 2011, 115, 24189-24197.
[34] M. Yadav, D. Behera, S. Kumar, R.R. Sinha, Industrial & Engineering Chemistry Research, 2013, 52, 6318-6328.
[35] A. Kokalj, Electrochimica Acta, 2010, 56, 745-755.
[36] I. Obot, D. Macdonald,Z. Gasem, Corrosion Science, 2015, 99, 1-30.
[37] A. Kokalj, Chemical Physics, 2012, 393, 1-12.
[38] J. Zevallos, A. Toro-Labbé, Journal of the Chilean Chemical Society, 2003, 48, 39-47.
[39] T.K. Ghanty, S.K. Ghosh, The Journal of Physical Chemistry, 1993, 97, 4951-4953.
[40] M. Studio, in 6.1Manual, Accelrys, Inc., San Diego, CA. 2007.
[41] J.-M. Zhang, D.-D. Wang, K.-W. Xu, Applied Surface Science, 2006, 252, 8217-8222.
[42] K. Fukui, Angewandte Chemie International Edition in English, 1982, 21, 801-809.
[43] E.E. Ebenso, T. Arslan, F. Kandemirli, N. Caner, I. Love, International Journal of Quantum Chemistry, 2010, 110, 1003-1018.
[44] R.G. Pearson, Journal of Chemical Education, 1968, 45, 581-584.
[45] R.G. Pearson, Journal of Chemical Education, 1968, 45, 643-648.
[46] Mahendra Yadav, Sushil Kumar, Indra Bahadur, D. Ramjugernath, International Journal of Electrochemical Scince, 2014, 9, 6529-6550.
[47] I. Lukovits, E. Kalman,F. Zucchi, Corrosion, 2001, 57, 3-8.
[48] X. Li, S. Deng, H. Fu,T. Li, Electrochimica Acta, 2009, 54, 4089-4098.
[49] A.M. Al-Sabagh, N.M. Nasser, A.A. Farag, M.A. Migahed, A.M. Eissa, T. Mahmoud, Egyptian Journal of Petroleum, 2013, 22, 101-116.
[50] F.L. Hirshfeld, Theoretica chimica acta, 1977, 44, 129-138.
[51] F. De Proft, C. Van Alsenoy, A. Peeters, W. Langenaeker, P. Geerlings, Journal of Computational Chemistry, 2002, 23, 1198-1209.
[52] S.E. Nataraja, T.V. Venkatesha, H.C. Tandon, Corrosion Science, 2012, 60, 214-223.
[53] Y. Tang, X. Yang, W. Yang, Y. Chen, R. Wan, Corrosion Science, 2010, 52, 242-249.
[54] S. Xia, M. Qiu, L. Yu, F. Liu,H. Zhao, Corrosion Science, 2008, 50, 2021-2029.
[55] Y. Tang, L. Yao, C. Kong, W. Yang,Y. Chen, Corrosion Science, 2011, 53, 2046-2049.
[56] L. Feng, H. Yang, F. Wang, Electrochimica Acta, 2011, 58, 427-436.
[57] K.F. Khaled, Journal of Applied Electrochemistry, 2011, 41, 423-433.
[58] J. Zeng, J. Zhang,X. Gong, Computational and Theoretical Chemistry, 2011, 963, 110-114.