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Solid State Chem."},{"key":"10.1016\/j.saa.2020.118639_bb0375","doi-asserted-by":"crossref","first-page":"1196","DOI":"10.1039\/DT9720001196","article-title":"The correlation of the electronic properties and stereochemistry of mononuclear {CuN4\u20136} chromophores","volume":"12","author":"Hathaway","year":"1972","journal-title":"J. Chem. Soc. Dalton Trans."},{"issue":"1","key":"10.1016\/j.saa.2020.118639_bb0380","doi-asserted-by":"crossref","first-page":"149","DOI":"10.1063\/1.1731880","article-title":"ESR studies on the bonding in copper complexes","volume":"35","author":"Kivelson","year":"1961","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.saa.2020.118639_bb0385","doi-asserted-by":"crossref","first-page":"1678","DOI":"10.1039\/j19680001678","article-title":"The electronic properties and stereochemistry of the copper(II) ion. Part I. 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Soc."},{"issue":"5","key":"10.1016\/j.saa.2020.118639_bb0400","doi-asserted-by":"crossref","first-page":"1803","DOI":"10.1016\/j.saa.2011.05.062","article-title":"Synthesis, spectral characterization, solution equilibria, in vitro antibacterial and cytotoxic activities of Cu (II), Ni (II), Mn (II), Co (II) and Zn (II) complexes with Schiff base derived from 5-bromosalicylaldehyde and 2-aminomethylthiophene","volume":"79","author":"El-Sherif","year":"2011","journal-title":"Spectrochim. Acta A Mol. Biomol. Spectrosc."},{"issue":"3","key":"10.1016\/j.saa.2020.118639_bb0405","doi-asserted-by":"crossref","first-page":"259","DOI":"10.1023\/A:1018464508113","article-title":"New copper (II) complexes produced by the template reaction of acetoacetic-2-pyridylamide and amino-aliphatic alcohols","volume":"22","author":"El-Tabl","year":"1997","journal-title":"Transit. Met. Chem."},{"issue":"2","key":"10.1016\/j.saa.2020.118639_bb0410","doi-asserted-by":"crossref","first-page":"601","DOI":"10.1002\/pssb.2221060224","article-title":"A quantitative estimation of the admixture in the ground state wave function of Cu2+ in low-symmetry crystal fields","volume":"106","author":"Bhaskar Rao","year":"1981","journal-title":"Phys. Status Solidi B"},{"issue":"1","key":"10.1016\/j.saa.2020.118639_bb0415","doi-asserted-by":"crossref","first-page":"55","DOI":"10.1016\/0022-3697(86)90176-9","article-title":"EPR studies of Cu2+ ion in CdK2 (SO4)2\u00b76H2O single crystals","volume":"47","author":"Satyanarayana","year":"1986","journal-title":"J. Phys. Chem. 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Res."},{"issue":"15","key":"10.1016\/j.saa.2020.118639_bb0445","doi-asserted-by":"crossref","first-page":"1827","DOI":"10.1002\/jcc.20122","article-title":"Quantitative structure\u2013activity relationships for phenyl triazolinones of protoporphyrinogen oxidase inhibitors: a density functional theory study","volume":"25","author":"Wan","year":"2004","journal-title":"J. Comput. Chem."},{"issue":"3","key":"10.1016\/j.saa.2020.118639_bb0450","doi-asserted-by":"crossref","first-page":"411","DOI":"10.1007\/s00894-009-0551-9","article-title":"Anticancer activity of nucleoside analogues: a density functional theory based QSAR study","volume":"16","author":"Sarmah","year":"2010","journal-title":"J. Mol. Model."},{"issue":"14","key":"10.1016\/j.saa.2020.118639_bb0455","doi-asserted-by":"crossref","first-page":"4049","DOI":"10.1021\/ja00326a036","article-title":"Density functional approach to the frontier-electron theory of chemical reactivity","volume":"106","author":"Parr","year":"1984","journal-title":"J. Am. Chem. Soc."},{"issue":"9","key":"10.1016\/j.saa.2020.118639_bb0460","doi-asserted-by":"crossref","first-page":"1922","DOI":"10.1021\/ja983494x","article-title":"Electrophilicity index","volume":"121","author":"Parr","year":"1999","journal-title":"J. Am. Chem. Soc."},{"issue":"25","key":"10.1016\/j.saa.2020.118639_bb0465","doi-asserted-by":"crossref","first-page":"4973","DOI":"10.1021\/jp034707u","article-title":"Philicity: a unified treatment of chemical reactivity and selectivity","volume":"107","author":"Chattaraj","year":"2003","journal-title":"J. Phys. Chem. A"},{"issue":"26","key":"10.1016\/j.saa.2020.118639_bb0470","doi-asserted-by":"crossref","first-page":"7512","DOI":"10.1021\/ja00364a005","article-title":"Absolute hardness: companion parameter to absolute electronegativity","volume":"105","author":"Parr","year":"1983","journal-title":"J. Am. Chem. Soc."},{"issue":"3","key":"10.1016\/j.saa.2020.118639_bb0475","doi-asserted-by":"crossref","first-page":"237","DOI":"10.1002\/qua.20506","article-title":"Atomic softness-based QSAR study of testosterone","volume":"103","author":"Srivastava","year":"2005","journal-title":"Int. J. Quantum Chem."},{"issue":"8","key":"10.1016\/j.saa.2020.118639_bb0480","doi-asserted-by":"crossref","first-page":"3801","DOI":"10.1063\/1.436185","article-title":"Electronegativity: the density functional viewpoint","volume":"68","author":"Parr","year":"1978","journal-title":"J. Chem. Phys."},{"issue":"3","key":"10.1016\/j.saa.2020.118639_bb0485","doi-asserted-by":"crossref","first-page":"1027","DOI":"10.1021\/cr950202r","article-title":"Quantum-chemical descriptors in QSAR\/QSPR studies","volume":"96","author":"Karelson","year":"1996","journal-title":"Chem. Rev."},{"issue":"6","key":"10.1016\/j.saa.2020.118639_bb0490","doi-asserted-by":"crossref","first-page":"301","DOI":"10.1155\/MBD.2000.301","article-title":"A theoretical-experimental study on the structure and activity of certain quinolones and the interaction of their Cu (II)-complexes on a DNA model","volume":"7","author":"Robles","year":"2000","journal-title":"Metal-Based Drugs"},{"key":"10.1016\/j.saa.2020.118639_bb0495","unstructured":"I. Fleming, Frontier orbitals and organic chemical reactions, Wiley1977."},{"issue":"2","key":"10.1016\/j.saa.2020.118639_bb0500","doi-asserted-by":"crossref","first-page":"256","DOI":"10.1016\/j.ejmech.2005.09.002","article-title":"Synthesis and evaluation of new quinazolone derivatives of nalidixic acid as potential antibacterial and antifungal agents","volume":"41","author":"Grover","year":"2006","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.saa.2020.118639_bb0505","article-title":"The impact of modifying the chemical structure of Nalidixic Acid on the antimicrobial activity of its derivatives: a review","volume":"191\u2013202","author":"Popio\u0142ek","year":"2015","journal-title":"International Research Journal of Pure and Applied Chemistry"},{"issue":"20","key":"10.1016\/j.saa.2020.118639_bb0510","doi-asserted-by":"crossref","first-page":"1081","DOI":"10.1056\/NEJM196611172752001","article-title":"A critical evaluation of nalidixic acid in urinary-tract infections","volume":"275","author":"Ronald","year":"1966","journal-title":"N. Engl. J. Med."},{"key":"10.1016\/j.saa.2020.118639_bb0515","series-title":"Disabling and Potentially Permanent Side Effects Lead to Suspension or Restrictions of Quinolone and Fluoroquinolone Antibiotics","author":"E.M. 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