Dergi makalesi Açık Erişim
Badoglu, S.; Yurdakul, S.
{
"conceptrecid": "64564",
"created": "2021-03-16T01:55:58.362724+00:00",
"doi": "10.1134/S0030400X14080049",
"files": [
{
"bucket": "b937a040-7386-440c-a03f-17f3d7e2bacc",
"checksum": "md5:bef7e92ddced27b932007d3cca3d3c00",
"key": "bib-f7b51f82-a24a-4bee-ad9e-d87f9a83d209.txt",
"links": {
"self": "https://aperta.ulakbim.gov.tr/api/files/b937a040-7386-440c-a03f-17f3d7e2bacc/bib-f7b51f82-a24a-4bee-ad9e-d87f9a83d209.txt"
},
"size": 158,
"type": "txt"
}
],
"id": 64565,
"links": {
"badge": "https://aperta.ulakbim.gov.tr/badge/doi/10.1134/S0030400X14080049.svg",
"bucket": "https://aperta.ulakbim.gov.tr/api/files/b937a040-7386-440c-a03f-17f3d7e2bacc",
"doi": "https://doi.org/10.1134/S0030400X14080049",
"html": "https://aperta.ulakbim.gov.tr/record/64565",
"latest": "https://aperta.ulakbim.gov.tr/api/records/64565",
"latest_html": "https://aperta.ulakbim.gov.tr/record/64565"
},
"metadata": {
"access_right": "open",
"access_right_category": "success",
"communities": [
{
"id": "tubitak-destekli-proje-yayinlari"
}
],
"creators": [
{
"affiliation": "Gazi Univ, Dept Phys, Fac Sci, Teknikokullar, TR-06500 Ankara, Turkey",
"name": "Badoglu, S."
},
{
"affiliation": "Gazi Univ, Dept Phys, Fac Sci, Teknikokullar, TR-06500 Ankara, Turkey",
"name": "Yurdakul, S."
}
],
"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.",
"doi": "10.1134/S0030400X14080049",
"has_grant": false,
"journal": {
"issue": "2",
"pages": "201-212",
"title": "OPTICS AND SPECTROSCOPY",
"volume": "117"
},
"license": {
"id": "cc-by"
},
"publication_date": "2014-01-01",
"relations": {
"version": [
{
"count": 1,
"index": 0,
"is_last": true,
"last_child": {
"pid_type": "recid",
"pid_value": "64565"
},
"parent": {
"pid_type": "recid",
"pid_value": "64564"
}
}
]
},
"resource_type": {
"subtype": "article",
"title": "Dergi makalesi",
"type": "publication"
},
"title": "DFT study of solvent effects on 3-hydroxy-2-quinoxalinecarboxylic acid tautomers"
},
"owners": [
1
],
"revision": 1,
"stats": {
"downloads": 10.0,
"unique_downloads": 10.0,
"unique_views": 37.0,
"version_downloads": 10.0,
"version_unique_downloads": 10.0,
"version_unique_views": 27.0,
"version_views": 32.0,
"version_volume": 1580.0,
"views": 45.0,
"volume": 1580.0
},
"updated": "2021-03-16T01:55:58.414768+00:00"
}
| Görüntülenme | 45 |
| İndirme | 10 |
| Veri hacmi | 1.6 kB |
| Tekil görüntülenme | 37 |
| Tekil indirme | 10 |