A. Cansız et al. / Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 97 (2012) 606–615
615
[
[
20] M. Dincer, N. Ozdemir, A. Cetin, T. Keser, O. Buyukgungor, Acta Cryst. C 62
2006) o639–o642.
21] M. Koparir, P. Koparir, A. Cansiz, M.M. Temuz, Asian J. Chem. 22 (2010) 6059–
066.
22] R.J. Singh, D.K. Singh, S. Afr, J. Chem. 62 (2009) 105–108.
23] N. Foroughifar, A. Mobinikhaledi, S. Ebrahimi, M.A. Bodaghi Fard, H.
Moghannian, J. Chin. Chem. Soc. 56 (2009) 1043–1047.
J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C.
Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth,
P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, O. Farkas, J.B. Foresman,
J.V. Ortiz, J. Cioslowski, D.J. Fox, Gaussian, Inc., Wallingford, CT, 2009.
[48] M.P. Andersson, P. Uvdal, J. Phys. Chem. A 109 (2005) 2937–2941.
[49] G. Rauhut, S. Puyear, K. Wolinski, P. Pulay, J. Phys. Chem. 100 (1996) 6310–
6316.
(
6
[
[
[
[
[
24] O. Kahn, C. Martinez, J. Sci. 279 (1998) 44–48.
[50] R. Ditchfield, W.J. Hehre, J.A. Pople, J. Chem. Phys. 54 (1971) 724–728.
[51] R. Ditchfleld, Mol. Phys. 27 (1974) 789–807.
25] M. Koparir, A. Cetin, A. Cansiz, Molecules 10 (2005) 475–480.
26] S. Ozturk, M. Akkurt, A. Cansiz, M. Koparir, M. Sekerci, F.W. Heinemann, Acta
Crystallogr. E 60 (2004) o425–o427.
27] S. Ozturk, M. Akkurt, A. Cansiz, M. Koparir, M. Sekerci, F.W. Heinemann, Acta
Crystallogr. E 60 (2004) o642–o644.
28] A. Cansiz, A. Cetin, P. Kutulay, M. Koparir, Asian J. Chem. 21 (2009) 617–626.
29] S.O. Yıldırım, M. Akkurt, A. Cetin, A. Cansiz, M. Sekerci, F.W. Heinemann, Anal.
Sci. 21 (2005) x121–x122 (X-ray Structure Analysis Online).
30] S.O. Yildirim, M. Akkurt, M. Koparir, A. Cansiz, M. Sekerci, F.W. Heinemann,
Acta Crystallogr. E 60 (2004) o2368–o2370.
[52] C.M. Rohlflng, L.C. Allen, R. Ditchfleld, Chem. Phys. 87 (1984) 9–15.
[53] E. Cances, B. Mennucci, J. Tomasi, J. Chem. Phys. 107 (1997) 3032–3041.
[54] L. Onsager, J. Am. Chem. Soc. 58 (1936) 1486–1493.
[55] S. Miertus, E. Scrocco, J. Tomasi, Chem. Phys. 55 (1981) 117–129.
[56] V. Barone, M. Cossi, J. Phys. Chem. A 102 (1998) 1995–2001.
[57] M. Cossi, N. Rega, G. Scalmani, V. Barone, J. Comput. Chem. 24 (2003) 669–681.
[58] J. Tomasi, B. Mennucci, R. Cammi, Chem. Rev. 105 (2005) 2999–3093.
[
[
[
[
[
31] J. Casanovas, A.M. Namba, S. Leon, G.L.B. Aquino, G.V.J. Da Silva, C. Aleman, J.
Org. Chem. 66 (2001) 3775–3782.
[
[
32] A.B. Sebag, D.A. Forsyth, M.A. Plante, J. Org. Chem. 66 (2001) 7967–7973.
33] D.B. Chesnut, in: K.B. Lipkowitz, D.B. Boyd (Eds.), Reviews in Computational
Chemistry, vol. 8, VCH, New York, 1996, p. 245.
34] A.C. De dios, Prog. Nucleic Magn. Reson. Spectrosc. 29 (1996) 229–278.
35] D.A. Forsyth, A.B. Sebag, J. Am. Chem. Soc. 119 (1997) 9483–9494.
36] T. Helgaker, M. Jaszunski, K. Ruud, Chem. Rev. 99 (1999) 293–352.
37] R. Ditchfleld, J. Chem. Phys. 56 (1972) 5688–5691.
[62] J.S. Murray, P. Lane, T. Brinck, P. Politzer, P. Sjoberg, J. Phys. Chem. 95 (1991)
14.
[63] S. Ozbey, N. Ulusoy, E. Kendi, Acta Crystallogr. C 56 (2000) o222–o224.
[64] O.Y. Borbulevych, O.V. Shishkin, S.M. Desenko, V.N. Chernenko, V.D. Orlov, Acta
Crystallogr. C 54 (1998) 442–444.
[
[
[
[
[
[
38] K. Wolinski, J.F. Hinton, P. Pulay, J. Am. Chem. Soc. 112 (1990) 8251–8260.
39] J.R. Cheeseman, G.W. Trucks, T.A. Keith, M.J. Frisch, J. Chem. Phys. 104 (1996)
[65] J. Ni, Y.Z. Li, W.B. Qi, Y.J. Liu, H.L. Chen, Z.L. Wang, Acta Crystallogr. C 59 (2003)
o470–o472.
5
497–5509.
40] P. Cimino, L. Gomez-Paloma, D. Duca, R. Riccio, G. Bifulco, Magn. Reson. Chem.
(2004) 26–33.
[66] A. Frisch, A.B. Nielsen, A.J. Holder, Gaussview User Manual, Gaussian Inc,
Pittsburg, 2001.
[67] Y. Atalay, F. Yakuphanoglu, M. Sekerci, D. Avcı, A. Basoglu, Spectrochim. Acta A
64 (2006) 68–72.
[68] N. Ozdemir, M. Dincer, A. Cukurovalı, O. Buyukgungor, J. Mol. Model. 15 (2009)
1435–1445.
[69] S.N. Swamy, B.S. Basappa, P.B. Prabhuswamy, B.H. Doreswamy, J.S. Prasad, K.S.
Rangappa, Eur. J. Med. Chem. 41 (4) (2006) 531–538.
[70] A. Cansiz, C. Orek, M. Koparir, P. Koparir, A. Cetin, Spectrochim. Acta A 91
(2012) 136–145.
[71] A.P. Scott, L. Radom, J. Phys. Chem. 100 (1996) 16502–16513.
[72] M.A. Palafox, M. Gill, N.J. Nunez, V.K. Rastogi, L. Mittal, R. Sharma, Int. J. Quant.
Chem. 103 (2005) 394–421.
[
[
4
41] R.A. Friesner, R.B. Murphy, M.D. Beachy, M.N. Ringnalda, W.T. Pollard, B.D.
Dunietz, Y. Cao, J. Phys. Chem. A 103 (1999) 1913–1928.
42] L. Rufisek, Z. Havlas, In. J. Quantum Chem. 91 (2003) 504–510.
43] T. Ziegler, Chem. Mater. Sci. (1997) 69.
44] G.L. Woods, J.A. Washington, Antibacterial susceptibility tests: dilution and
disk diffusion methods, in: P.R. Murray, E.J. Baron, M.A. Pfaller, F.C. Tenover,
R.H. Yolken (Eds.), Manual of Clinical Microbiology, sixth ed., American
Society for Microbiology, Washington, DC, 1995, pp. 1327–1341.
45] J. Roberts, The Cephalosporins in Kirk-Othmer Encyclopedia of Chemical
Technology, vol. 3, John Wiley & Sons Inc., 1992.
[
[
[
[
[
[
46] M.M. Hossain, M.F. Aziz, R. Ahmed, M. Hossain, A. Mahmuda, T. Ahmed, M.H.
Mazumder, Int. J. Pharm. Sci. 2 (2010) 60–63.
[73] V. Bondet, W. Brand-Williams, C. Berset, Lebensm. Wiss. Technol. 30 (1997)
609–615.
47] M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman,
G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato,
X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M.
Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y.
Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery Jr., J.E. Peralta, F. Ogliaro,
M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J.
Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M.
Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo,
[74] E. Scrocco, J. Tomasi, Adv. Quantum Chem. 11 (1978) 115–193.
[75] F.J. Luque, J.M. Lopez, M. Orozco, Theor. Chem. Acc 103 (2000) 343–345.
[76] N. Okulik, A.H. Jubert, Internet Electron J. Mol. Des. 4 (2005) 17–30.
[77] P. Politzer, P.R. Laurence, K. Jayasuriya, J. McKinney, Environ. Health Perspect
61 (1985) 191–202.
[78] E. Scrocco, J. Tomasi, Topics in Current Chemistry, vol. 7, Springer, Berlin, 1973.
p. 95.
[79] Fleming Frontier orbitals and organic chemical reactions. Wiley, London, 1976.