1 Ocak 2019 Dergi makalesi Açık Erişim

Uras-Aytemiz, Nevin; Balci, F. Mine; Devlin, J. Paul

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  "@context": "https://schema.org/", 
  "@id": 67803, 
  "@type": "ScholarlyArticle", 
  "creator": [
    {
      "@type": "Person", 
      "name": "Uras-Aytemiz, Nevin"
    }, 
    {
      "@type": "Person", 
      "affiliation": "Suleyman Demirel Univ, Dept Chem, TR-32260 Isparta, Turkey", 
      "name": "Balci, F. Mine"
    }, 
    {
      "@type": "Person", 
      "affiliation": "Oklahoma State Univ, Dept Chem, Stillwater, OK 74078 USA", 
      "name": "Devlin, J. Paul"
    }
  ], 
  "datePublished": "2019-01-01", 
  "description": "Solvation of HCl at <100 K at the surface of nanoparticles of methanethiol, a sulfur derivative of methanol, was investigated by FTIR spectroscopy and on-the-fly molecular dynamics as implemented in the density functional code QUICKSTEP (which is part of the CP2K package). Some of the results have been further checked with MP2-level ab initio calculations. Unlike the HCl-CH3OH system that has been examined before, HCl on the surface or within methanethiol nanoparticles does not achieve an ionized form. Requirements for acid solvation/ionization are discussed in context with the results for methanol clusters. Published under license by AIP Publishing.", 
  "headline": "Can sulfur-containing molecules solvate/ionize HCl? Solid state solvation of HCl on/in methanethiol clusters/nanoparticles", 
  "identifier": 67803, 
  "image": "https://aperta.ulakbim.gov.tr/static/img/logo/aperta_logo_with_icon.svg", 
  "license": "http://www.opendefinition.org/licenses/cc-by", 
  "name": "Can sulfur-containing molecules solvate/ionize HCl? Solid state solvation of HCl on/in methanethiol clusters/nanoparticles", 
  "url": "https://aperta.ulakbim.gov.tr/record/67803"
}