1 Ocak 2019 Dergi makalesi Açık Erişim

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

JSON

{
  "conceptrecid": "67802", 
  "created": "2021-03-16T02:39:56.288153+00:00", 
  "doi": "10.1063/1.5126029", 
  "files": [
    {
      "bucket": "cf60bf25-85fb-4e77-b390-6a5c558e6396", 
      "checksum": "md5:fc209239676dc0d4ff5da98a97324cd7", 
      "key": "bib-7883a636-278a-43fa-bae6-028c74ab5626.txt", 
      "links": {
        "self": "https://aperta.ulakbim.gov.tr/api/files/cf60bf25-85fb-4e77-b390-6a5c558e6396/bib-7883a636-278a-43fa-bae6-028c74ab5626.txt"
      }, 
      "size": 210, 
      "type": "txt"
    }
  ], 
  "id": 67803, 
  "links": {
    "badge": "https://aperta.ulakbim.gov.tr/badge/doi/10.1063/1.5126029.svg", 
    "bucket": "https://aperta.ulakbim.gov.tr/api/files/cf60bf25-85fb-4e77-b390-6a5c558e6396", 
    "doi": "https://doi.org/10.1063/1.5126029", 
    "html": "https://aperta.ulakbim.gov.tr/record/67803", 
    "latest": "https://aperta.ulakbim.gov.tr/api/records/67803", 
    "latest_html": "https://aperta.ulakbim.gov.tr/record/67803"
  }, 
  "metadata": {
    "access_right": "open", 
    "access_right_category": "success", 
    "communities": [
      {
        "id": "tubitak-destekli-proje-yayinlari"
      }
    ], 
    "creators": [
      {
        "name": "Uras-Aytemiz, Nevin"
      }, 
      {
        "affiliation": "Suleyman Demirel Univ, Dept Chem, TR-32260 Isparta, Turkey", 
        "name": "Balci, F. Mine"
      }, 
      {
        "affiliation": "Oklahoma State Univ, Dept Chem, Stillwater, OK 74078 USA", 
        "name": "Devlin, J. Paul"
      }
    ], 
    "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.", 
    "doi": "10.1063/1.5126029", 
    "has_grant": false, 
    "journal": {
      "issue": "19", 
      "title": "JOURNAL OF CHEMICAL PHYSICS", 
      "volume": "151"
    }, 
    "license": {
      "id": "cc-by"
    }, 
    "publication_date": "2019-01-01", 
    "relations": {
      "version": [
        {
          "count": 1, 
          "index": 0, 
          "is_last": true, 
          "last_child": {
            "pid_type": "recid", 
            "pid_value": "67803"
          }, 
          "parent": {
            "pid_type": "recid", 
            "pid_value": "67802"
          }
        }
      ]
    }, 
    "resource_type": {
      "subtype": "article", 
      "title": "Dergi makalesi", 
      "type": "publication"
    }, 
    "title": "Can sulfur-containing molecules solvate/ionize HCl? Solid state solvation of HCl on/in methanethiol clusters/nanoparticles"
  }, 
  "owners": [
    1
  ], 
  "revision": 1, 
  "stats": {
    "downloads": 7.0, 
    "unique_downloads": 7.0, 
    "unique_views": 45.0, 
    "version_downloads": 7.0, 
    "version_unique_downloads": 7.0, 
    "version_unique_views": 44.0, 
    "version_views": 49.0, 
    "version_volume": 1470.0, 
    "views": 50.0, 
    "volume": 1470.0
  }, 
  "updated": "2021-03-16T02:39:56.347764+00:00"
}