Dataset Open Access

Computational models for kaolinite nano-particles (Generations 1-3) and their comprehensive FTIR spectra

Robert K Szilagyi; Erzsebet Horvath; Attila Taborosi; Balazs Zsirka

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@dataset{robert_k_szilagyi_2018_1195747,
  author       = {Robert K Szilagyi and
                  Erzsebet Horvath and
                  Attila Taborosi and
                  Balazs Zsirka},
  title        = {{Computational models for kaolinite nano-particles 
                   (Generations 1-3) and their comprehensive FTIR
                   spectra}},
  month        = mar,
  year         = 2018,
  note         = {manuscript submitted for publication ...},
  publisher    = {Zenodo},
  version      = {1.0},
  doi          = {10.5281/zenodo.1195747},
  url          = {https://doi.org/10.5281/zenodo.1195747}
}
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Publication date:
March 11, 2018
DOI:
10.5281/zenodo.1195747

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10.5281/zenodo.1195747

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Keyword(s):
kaolinite nanoparticles exfoliated clay molecular cluster model semi-empirical methods density functional theory FTIR spectroscopy FTIR deconvolution vibrational analysis
Awarding University:
University of Pannonia, Faculty of Engineering
License (for files):
Creative Commons Attribution 4.0 International

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Version 1.0 10.5281/zenodo.1195747 Mar 11, 2018
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