1 Ocak 2014 Dergi makalesi Açık Erişim

Badoglu, S.; Yurdakul, S.

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{
  "@context": "https://schema.org/", 
  "@id": 64565, 
  "@type": "ScholarlyArticle", 
  "creator": [
    {
      "@type": "Person", 
      "affiliation": "Gazi Univ, Dept Phys, Fac Sci, Teknikokullar, TR-06500 Ankara, Turkey", 
      "name": "Badoglu, S."
    }, 
    {
      "@type": "Person", 
      "affiliation": "Gazi Univ, Dept Phys, Fac Sci, Teknikokullar, TR-06500 Ankara, Turkey", 
      "name": "Yurdakul, S."
    }
  ], 
  "datePublished": "2014-01-01", 
  "description": "By using the combination of density functional theory (DFT) B3LYP/6-311++G(d,g) within polarized continuum (PCM) model, solvent effects on 3-hydroxy-2-quinoxalinecarboxylic acid (3HQC) tautomers were investigated. Geometrical parameters, vibrational frequencies, electronic and energetic properties, and the nucleus-independent chemical shifts (NICS) were calculated in benzene, diethyl ether, and water. It has been seen that these molecular features of 3HQC are mostly solvent dependent.", 
  "headline": "DFT study of solvent effects on 3-hydroxy-2-quinoxalinecarboxylic acid tautomers", 
  "identifier": 64565, 
  "image": "https://aperta.ulakbim.gov.tr/static/img/logo/aperta_logo_with_icon.svg", 
  "license": "http://www.opendefinition.org/licenses/cc-by", 
  "name": "DFT study of solvent effects on 3-hydroxy-2-quinoxalinecarboxylic acid tautomers", 
  "url": "https://aperta.ulakbim.gov.tr/record/64565"
}