% IMPORTANT: The following is UTF-8 encoded.  This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.

@ARTICLE{Ibrahim:111960,
      author       = {Ibrahim, M. and Koglin, E.},
      title        = {{S}pectroscopic study of polyaniline emeraldine base:
                      {M}odelling approach},
      journal      = {Acta chimica Slovenica},
      volume       = {52},
      issn         = {1318-0207},
      address      = {Ljubljana},
      publisher    = {Drustvo},
      reportid     = {PreJuSER-111960},
      pages        = {159 - 163},
      year         = {2005},
      note         = {Record converted from VDB: 16.11.2012},
      abstract     = {The polymerization of aniline by Cu(II) montmorillonite was
                      studied using attenuated total reflection Fourier-transform
                      infrared (ATR-FTIR) spectroscopy. Experimental spectra were
                      compared with that calculated by AM1, PM3, PM5, MINDO,
                      Hartree-Fock, HF/6-31g(d), as well as Density Functional
                      Theory, BLYP/DZVP and B3LYP/6-31g(d,p). Furthermore, the
                      final heat of formation is studied as a function of
                      temperature. Results indicate that, for aniline
                      B3LYP/6-31G(d,p) calculated frequencies are in a good
                      agreement with experimental data, while HF/6-31G(d) is the
                      optimal in case of polyaniline. The vibrational calculations
                      of a four-ring unit (emeraldine base:EB) are believed to be
                      a good representation of the polyaniline at
                      Cu(II)-montmorillonite. The final heat of formation is a
                      function of polymerization and changed from aniline monomer
                      to five ring repeat unit of polyaniline structure.},
      keywords     = {J (WoSType)},
      cin          = {IBG-3},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IBG-3-20101118},
      pnm          = {Terrestrische Umwelt},
      pid          = {G:(DE-Juel1)FUEK407},
      shelfmark    = {Chemistry, Multidisciplinary},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000229826900010},
      url          = {https://juser.fz-juelich.de/record/111960},
}