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Mitu, L., N. Raman, A. Kriza, N. Stanica, and M. Dianu. 2009. Template synthesis, character-
ization and antimicrobial activity of some new complexes with Isonicotinoyl hydrazone
ligands. J. Serb. Chem. Soc. , 74(10):1075-1084.
MOPAC ® , http://www.openmopac.net/ .
MOPAC manual, http://www.openmopac.net/manual/index.html .
Murcia, M., A. Morreale, and A.R. Ortiz. 2006. Comparative binding energy analysis consid-
ering multiple receptors: A step toward 3D-QSAR models for multiple targets. J. Med.
Chem. 49(21):6241-6253.
Murray, J. S., P. Lane, T. Brinck, and P. Politzer. 1993. Relationships between computed
molecular properties and solute-solvent interactions in supercritical solutions. J. Phys.
Chem. 97(19):5144-5148.
Murugan, R., M.P.P. Grendze, J.J.E. Toomey, A.R. Katritzky, M. Karelson, V.S. Lobanov,
and P.P. Rachwal. 1994. Predicting physical properties from molecular structure.
CHEMTECH 24:17-23.
Nan, G., B. Rao, and M. Luo. 2011. Cis -chelated palladium(II) complexes of biphenyl-linked
bis(imidazolin-2-ylidene): Synthesis and catalytic activity in the Suzuki-Miyaura reac-
tion. Arkivoc 2:29-40.
Pascual-Ahuir, J.L., and E. Silla. 1990. GEPOL: An improved description of molecular
surfaces, I: building the spherical surface set. J. Comput. Chem . 11:1047-1060.
PCModel ® Serena Software, Box 3076, Bloomington, Indiana, USA, http://www.serenasoft.
com/gmmx.html ; e-mail: gilbert@serenasoft.com .
Protein Data Bank. Biological Macromolecular Resource, http://www.pdb.org/pdb/home/
home.do , for instance many Ferrodoxins, Ferritins, Myelin Transcription Factors etc.
Randic, M. 1975. On characterization of molecular branching. J. Am. Chem. Soc. 97:6609-6615.
Reiss, A., T. Caproiu, and N. Stanica. 2009. Synthesis, characterization and antibacterial
studies of some metal complexes with the Schiff base of a heterocyclic aldehyde. Bull.
Chem. Soc. Ethiop. 23(1):63-68.
Rekker, R.F., and H.M. de Kort. 1979. The hydrophobic fragmental constant: An extension to
a 1000 data-point set. Eur. J. Med. Chem. 14:479-488.
Rekker, R.F., and R. Mannhold. 1992. Calculation of Drug Lipophilicity: The Hydrophobic
Fragmental Constant Approach. Weinheim, Germany: VCH.
Rekker, R.F., and G.G. Nys. 1974. The concept of hydrophobic fragmental constants (f-values).
11. Extension of its applicability to the calculation of lipophilicities of aromatic and
heteroaromatic structures. Eur. J. Med. Chem. 9:361-375.
Rinaldi, D., J.-L. Rivail, and N. Rguini. 1992. Fast geometry optimization in self-consistent
reaction field computations on solvated molecules. J. Comput. Chem. 13:675-680.
Rohrbaugh, R.H., and P.C. Jurs. 1987. Descriptions of molecular shape applied in
studies  of  structure/activity and structure/property relationships . Anal. Chim. Acta
199:99 - 109 .
Roothaan, C.C.J. 1951. New developments in molecular orbital theory. Rev. Mod. Phys.
23:69-89.
Saeh, J.C., P.D. Lyne, B.K. Takasaki, and D.A. Cosgrove. 2005. Lead hopping using svm and
3D pharmacophore fingerprints. J. Chem. Inf. Model . 45(4):1122-1133.
Sannigrahi, A.B. 1992. Abinitio molecular orbital calculations of bond index and valency.
Adv. Quantum Chem. 23:301-351.
Satoh, K., S. Azuma, H. Satoh, and K. Funatsu. 1997. Development of a program for construc-
tion of a starting material library for AIPHOS. J. Chem. Software 4:101-107.
Schleyer, P.R., C. Maerker, A. Dransfeld, H. Jiao, and N.J.R.E. Hommes. 1996. Nucleus-
independent chemical shifts: A simple and efficient aromaticity probe. J. Am. Chem.
Soc. 118:6317-6318.
Schrödinger, E. 1926. Quantisierung als Eigenwert problem/Quantization as a problem of
proper values. Part I. Ann. Physik 384(4):361-376.
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