1 Ocak 2013 Dergi makalesi Açık Erişim

Gokce, Halil; Bahceli, Semiha

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        "affiliation": "Giresun Univ, Vocat High Sch Hlth Serv, TR-28200 Giresun, Turkey", 
        "name": "Gokce, Halil"
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      {
        "affiliation": "Suleyman Demirel Univ, Dept Phys, Fac Arts & Sci, TR-32260 Isparta, Turkey", 
        "name": "Bahceli, Semiha"
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    "description": "In this study the elemental analysis results, molecular geometries, vibrational and electronic absorption spectra of free 2,2'-dithiodipyridine(C10H8N2S2), (or DTDP) (with synonym, 2,2'-dipyridyl disulfide) and M(C10H8N2S2)Cl-2 (M = Co, Cu and Zn) complexes have been reported. Vibrational wavenumbers of free DTDP and its metal halide complexes have been calculated by using DFT/B3LYP calculation method with 6-31++G(d,p) and Lanl2DZ basis sets, respectively, in the ground state, for the first time. The calculated fundamental vibrational frequencies are in a good agreement with experimental data. The HOMO, LUMO and MEP analyses of all compounds are performed by DFT method. (C) 2013 Published by Elsevier B.V.", 
    "doi": "10.1016/j.saa.2013.04.112", 
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    "journal": {
      "pages": "61-73", 
      "title": "SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY", 
      "volume": "114"
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    "publication_date": "2013-01-01", 
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    "title": "FT-IR, Micro-Raman and UV-vis spectroscopic and quantum chemical investigations of free 2,2 '-dithiodipyridine and its metal (Co, Cu and Zn) halide complexes"
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