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International Journal of Molecular Sciences, Volume 6, Issue 9

2005 September-October - 2 articles

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Articles (2)

  • Article
  • Open Access
3 Citations
8,876 Views
12 Pages
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Inhibition of Heme Peroxidase During Phenol Derivatives Oxidation. Possible Molecular Cloaking of the Active Center

  • Arturas Ziemys and
  • Juozas Kulys
Int. J. Mol. Sci.2005, 6(9), 245-256;https://doi.org/10.3390/i6090245

20 October 2005

Ab initio quantum chemical calculations have been applied to the study of the molecular structure of phenol derivatives and oligomers produced during peroxidasecatalyzed oxidation. The interaction of substrates and oligomers with Arthromyces ramosus...

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  • Article
  • Open Access
1 Citations
10,232 Views
15 Pages
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Structural Stability and Vibrational Analyses of Haloselenonyl Azides, XSeO2-NNN, where X is F, Cl, Br

  • Wolfgang Förner,
  • Hassan M. Badawi and
  • Zaki S. Seddigi
Int. J. Mol. Sci.2005, 6(9), 230-244;https://doi.org/10.3390/i6090230

4 October 2005

The structural stability of haloselenonyl azides was investigated by quantum mechanical Møller-Plesset perturbation theory of second order and density functional theory calculations. The 6-311+G** basis set was used to include polarization and diffus...

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Int. J. Mol. Sci. - ISSN 1422-0067
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