1 Ocak 2014 Dergi makalesi Açık Erişim

Badoglu, S.; Yurdakul, S.

Citation Style Language JSON

{
  "DOI": "10.1134/S0030400X14080049", 
  "abstract": "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.", 
  "author": [
    {
      "family": "Badoglu", 
      "given": " S."
    }, 
    {
      "family": "Yurdakul", 
      "given": " S."
    }
  ], 
  "container_title": "OPTICS AND SPECTROSCOPY", 
  "id": "64565", 
  "issue": "2", 
  "issued": {
    "date-parts": [
      [
        2014, 
        1, 
        1
      ]
    ]
  }, 
  "page": "201-212", 
  "title": "DFT study of solvent effects on 3-hydroxy-2-quinoxalinecarboxylic acid tautomers", 
  "type": "article-journal", 
  "volume": "117"
}