1 Ocak 2014 Dergi makalesi Açık Erişim

Badoglu, S.; Yurdakul, S.

MARC21 XML

<?xml version='1.0' encoding='UTF-8'?>
<record xmlns="http://www.loc.gov/MARC21/slim">
  <leader>00000nam##2200000uu#4500</leader>
  <datafield tag="909" ind1="C" ind2="O">
    <subfield code="p">user-tubitak-destekli-proje-yayinlari</subfield>
    <subfield code="o">oai:zenodo.org:64565</subfield>
  </datafield>
  <datafield tag="520" ind1=" " ind2=" ">
    <subfield code="a">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.</subfield>
  </datafield>
  <datafield tag="980" ind1=" " ind2=" ">
    <subfield code="a">publication</subfield>
    <subfield code="b">article</subfield>
  </datafield>
  <datafield tag="540" ind1=" " ind2=" ">
    <subfield code="a">Creative Commons Attribution</subfield>
    <subfield code="u">http://www.opendefinition.org/licenses/cc-by</subfield>
  </datafield>
  <datafield tag="100" ind1=" " ind2=" ">
    <subfield code="a">Badoglu, S.</subfield>
    <subfield code="u">Gazi Univ, Dept Phys, Fac Sci, Teknikokullar, TR-06500 Ankara, Turkey</subfield>
  </datafield>
  <datafield tag="856" ind1="4" ind2=" ">
    <subfield code="z">md5:bef7e92ddced27b932007d3cca3d3c00</subfield>
    <subfield code="s">158</subfield>
    <subfield code="u">https://aperta.ulakbim.gov.trrecord/64565/files/bib-f7b51f82-a24a-4bee-ad9e-d87f9a83d209.txt</subfield>
  </datafield>
  <controlfield tag="005">20210316015558.0</controlfield>
  <datafield tag="260" ind1=" " ind2=" ">
    <subfield code="c">2014-01-01</subfield>
  </datafield>
  <datafield tag="024" ind1=" " ind2=" ">
    <subfield code="a">10.1134/S0030400X14080049</subfield>
    <subfield code="2">doi</subfield>
  </datafield>
  <datafield tag="542" ind1=" " ind2=" ">
    <subfield code="l">open</subfield>
  </datafield>
  <datafield tag="245" ind1=" " ind2=" ">
    <subfield code="a">DFT study of solvent effects on 3-hydroxy-2-quinoxalinecarboxylic acid tautomers</subfield>
  </datafield>
  <datafield tag="909" ind1="C" ind2="4">
    <subfield code="v">117</subfield>
    <subfield code="p">OPTICS AND SPECTROSCOPY</subfield>
    <subfield code="c">201-212</subfield>
    <subfield code="n">2</subfield>
  </datafield>
  <datafield tag="650" ind1="1" ind2="7">
    <subfield code="a">cc-by</subfield>
    <subfield code="2">opendefinition.org</subfield>
  </datafield>
  <datafield tag="700" ind1=" " ind2=" ">
    <subfield code="a">Yurdakul, S.</subfield>
    <subfield code="u">Gazi Univ, Dept Phys, Fac Sci, Teknikokullar, TR-06500 Ankara, Turkey</subfield>
  </datafield>
  <controlfield tag="001">64565</controlfield>
  <datafield tag="980" ind1=" " ind2=" ">
    <subfield code="a">user-tubitak-destekli-proje-yayinlari</subfield>
  </datafield>
</record>