{
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    "type": "research_article",
    "title": "Computational studies on the vanadocene dithiocarbamate complexes",
    "title_secondary": null,
    "abstract": "[Cp2V{S2CN(CH2)4O}]+ and [(η5-C5H4Me)2V{S2CN(CH2)4O}]+ complexes are optimized B3LYP/GEN\r\nlevel (GEN keyword is mean that LANL2DZ basis set for metal atom and 6-31G(d) basis set for S, O, N, C and H\r\natoms) in gas phase. The aim in this study, the molecular structures, some parameters effecting on biological\r\nactivity and molecular docking toward MOLT-4 cells are calculated by using B3LYP method in the gas phase.  ",
    "language": "en",
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        {
            "public_id": "b11d11b5-6ca6-47ce-819a-0941b1f4a658",
            "given": "Sultan",
            "family": "Erkan",
            "full": "Sultan Erkan",
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            "email": "sultanerkan58@gmail.com",
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                {
                    "name": "Sivas Cumhuriyet University",
                    "department": null,
                    "country": null,
                    "country_code": null,
                    "ror": null,
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            ]
        }
    ],
    "keywords": [
        "Vanadocene dithiocarbamate, DFT, Biological activities, Molecular docking"
    ],
    "translations": [
        {
            "language": "en",
            "title": "Computational studies on the vanadocene dithiocarbamate complexes",
            "abstract": "[Cp2V{S2CN(CH2)4O}]+ and [(η5-C5H4Me)2V{S2CN(CH2)4O}]+ complexes are optimized B3LYP/GEN\r\nlevel (GEN keyword is mean that LANL2DZ basis set for metal atom and 6-31G(d) basis set for S, O, N, C and H\r\natoms) in gas phase. The aim in this study, the molecular structures, some parameters effecting on biological\r\nactivity and molecular docking toward MOLT-4 cells are calculated by using B3LYP method in the gas phase.  \r\n",
            "keywords": [
                "Vanadocene dithiocarbamate, DFT, Biological activities, Molecular docking"
            ]
        }
    ],
    "subjects": [],
    "subject_names": [],
    "published_date": "2018-12-31",
    "published_year": "2018",
    "received_date": null,
    "accepted_date": null,
    "volume": "3",
    "issue": null,
    "page_first": "933",
    "page_last": "938",
    "article_number": null,
    "conference": {
        "short_name": "ISAS2018-Winter",
        "full_title": "2nd International Symposium on Innovative Approaches in Scientific Studies",
        "name": "2nd International Symposium on Innovative Approaches in Scientific Studies",
        "acronym": "ISAS2018-Winter",
        "location": "Samsun, Türkiye",
        "start_date": "2018-11-30",
        "end_date": null,
        "public_id": "b8a703cc-09f7-4d5b-ae60-eb31a1050720"
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    "proceedings": {
        "title": "2nd International Symposium on Innovative Approaches in Scientific Studies",
        "series_title": "Setsci conference indexing system",
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        "issn": "2618-6446",
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        "slug": "setsci-volume-3-2018-legacy-39",
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        "url": "https://creativecommons.org/licenses/by/4.0/",
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        "holder": "SET Technology",
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