{ "labelLang" : "hun", "responseDate" : "2024-03-29 02:15", "content" : { "otype" : "JournalArticle", "mtid" : 31424367, "status" : "APPROVED", "published" : true, "comment" : "Funding Agency and Grant Number: Grant Agency of Faculty of Environmental Sciences, Czech University of Life Sciences, Prague [42900/1312/3114]; Czech Ministry of Education, Youth and Sports [MSMT 20/2015]\n Funding text: This work was supported by the Grant Agency of Faculty of Environmental Sciences, Czech University of Life Sciences, Prague (Grant Number 42900/1312/3114) and by the Czech Ministry of Education, Youth and Sports (Grant Number MSMT 20/2015).", "unhandledTickets" : 0, "deleted" : false, "lastRefresh" : "2023-09-12T13:32:57.619+0000", "lastModified" : "2023-08-03T23:01:52.533+0000", "created" : "2020-08-26T00:37:57.873+0000", "creator" : { "otype" : "Admin", "mtid" : 565, "link" : "/api/admin/565", "label" : "WoS import (admin)", "familyName" : "WoS", "givenName" : "import", "published" : true, "snippet" : true }, "lastDuplumSearch" : "2023-09-12T13:31:51.262+0000", "core" : false, "citation" : true, "publicationPending" : false, "type" : { "otype" : "PublicationType", "mtid" : 24, "link" : "/api/publicationtype/24", "label" : "Folyóiratcikk", "code" : 24, "otypeName" : "JournalArticle", "listPosition" : 1, "published" : true, "oldId" : 24, "snippet" : true }, "subType" : { "otype" : "SubType", "mtid" : 10000059, "link" : "/api/subtype/10000059", "label" : "Szakcikk (Folyóiratcikk)", "name" : "Szakcikk", "nameEng" : "Article", "docType" : { "otype" : "PublicationType", "mtid" : 24, "link" : "/api/publicationtype/24", "label" : "Folyóiratcikk", "code" : 24, "otypeName" : "JournalArticle", "listPosition" : 1, "published" : true, "oldId" : 24, "snippet" : true }, "listPosition" : 101, "published" : true, "oldId" : 10000059, "snippet" : true }, "category" : { "otype" : "Category", "mtid" : 1, "link" : "/api/category/1", "label" : "Tudományos", "published" : true, "oldId" : 1, "snippet" : true }, "languages" : [ { "otype" : "Language", "mtid" : 10002, "link" : "/api/language/10002", "label" : "Angol", "name" : "Angol", "nameEng" : "English", "published" : true, "oldId" : 2, "snippet" : true } ], "firstAuthor" : "Bohm, Stanislav", "authorships" : [ { "otype" : "PersonAuthorship", "mtid" : 92438786, "link" : "/api/authorship/92438786", "label" : "Bohm, Stanislav", "listPosition" : 1, "share" : 0.0, "first" : true, "last" : false, "corresponding" : false, "familyName" : "Bohm", "givenName" : "Stanislav", "authorTyped" : true, "editorTyped" : false, "otherTyped" : false, "type" : { "otype" : "AuthorshipType", "mtid" : 1, "link" : "/api/authorshiptype/1", "label" : "Szerző", "code" : 0, "published" : true, "oldId" : 0, "snippet" : true }, "published" : false, "snippet" : true }, { "otype" : "PersonAuthorship", "mtid" : 92438787, "link" : "/api/authorship/92438787", "label" : "Makrlik, Emanuel", "listPosition" : 2, "share" : 0.0, "first" : false, "last" : false, "corresponding" : false, "familyName" : "Makrlik", "givenName" : "Emanuel", "authorTyped" : true, "editorTyped" : false, "otherTyped" : false, "type" : { "otype" : "AuthorshipType", "mtid" : 1, "link" : "/api/authorshiptype/1", "label" : "Szerző", "code" : 0, "published" : true, "oldId" : 0, "snippet" : true }, "published" : false, "snippet" : true }, { "otype" : "PersonAuthorship", "mtid" : 92438788, "link" : "/api/authorship/92438788", "label" : "Vanura, Petr ✉", "listPosition" : 3, "share" : 0.0, "first" : false, "last" : true, "corresponding" : true, "familyName" : "Vanura", "givenName" : "Petr", "authorTyped" : true, "editorTyped" : false, "otherTyped" : false, "type" : { "otype" : "AuthorshipType", "mtid" : 1, "link" : "/api/authorshiptype/1", "label" : "Szerző", "code" : 0, "published" : true, "oldId" : 0, "snippet" : true }, "published" : false, "snippet" : true } ], "title" : "Theoretical study on the complexation of the hexafluorophosphate, hexafluoroarsenate, and hexafluoroantimonate anions with dodecabenzylbambus[6] uril", "identifiers" : [ { "otype" : "PublicationIdentifier", "mtid" : 17178374, "link" : "/api/publicationidentifier/17178374", "label" : "DOI: 10.1007/s00706-020-02569-7", "source" : { "otype" : "PlainSource", "mtid" : 6, "link" : "/api/publicationsource/6", "label" : "DOI", "type" : { "otype" : "PublicationSourceType", "mtid" : 10001, "link" : "/api/publicationsourcetype/10001", "label" : "DOI", "mayHaveOa" : true, "published" : true, "snippet" : true }, "name" : "DOI", "nameEng" : "DOI", "linkPattern" : "https://doi.org/@@@", "publiclyVisible" : true, "published" : true, "oldId" : 6, "snippet" : true }, "validState" : "IDENTICAL", "idValue" : "10.1007/s00706-020-02569-7", "realUrl" : "https://doi.org/10.1007/s00706-020-02569-7", "published" : false, "snippet" : true }, { "otype" : "PublicationIdentifier", "mtid" : 17178373, "link" : "/api/publicationidentifier/17178373", "label" : "WoS: 000522023400001", "source" : { "otype" : "PlainSource", "mtid" : 1, "link" : "/api/publicationsource/1", "label" : "WoS", "type" : { "otype" : "PublicationSourceType", "mtid" : 10003, "link" : "/api/publicationsourcetype/10003", "label" : "Indexelő adatbázis", "mayHaveOa" : false, "published" : true, "snippet" : true }, "name" : "WoS", "nameEng" : "WoS", "linkPattern" : "https://www.webofscience.com/wos/woscc/full-record/@@@", "publiclyVisible" : true, "published" : true, "oldId" : 1, "snippet" : true }, "validState" : "IDENTICAL", "idValue" : "000522023400001", "realUrl" : "https://www.webofscience.com/wos/woscc/full-record/000522023400001", "published" : false, "snippet" : true }, { "otype" : "PublicationIdentifier", "mtid" : 17178375, "link" : "/api/publicationidentifier/17178375", "label" : "Scopus: 85082421259", "source" : { "otype" : "PlainSource", "mtid" : 3, "link" : "/api/publicationsource/3", "label" : "Scopus", "type" : { "otype" : "PublicationSourceType", "mtid" : 10003, "link" : "/api/publicationsourcetype/10003", "label" : "Indexelő adatbázis", "mayHaveOa" : false, "published" : true, "snippet" : true }, "name" : "Scopus", "linkPattern" : "http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-@@@", "publiclyVisible" : true, "published" : true, "oldId" : 3, "snippet" : true }, "idValue" : "85082421259", "realUrl" : "http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-85082421259", "published" : false, "snippet" : true } ], "journal" : { "otype" : "Journal", "mtid" : 3277, "link" : "/api/journal/3277", "label" : "MONATSHEFTE FUR CHEMIE 0026-9247 1434-4475", "pIssn" : "0026-9247", "eIssn" : "1434-4475", "reviewType" : "REVIEWED", "noIF" : false, "sciIndexed" : true, "scopusIndexed" : true, "lang" : "FOREIGN", "hungarian" : false, "published" : true, "oldId" : 3277, "snippet" : true }, "volume" : "151", "issue" : "3", "firstPage" : "369", "lastPage" : "375", "firstPageOrInternalIdForSort" : "369", "pageLength" : 7, "publishedYear" : 2020, "abstractText" : "Applying quantum chemical calculations, the most likely conformations of the anionic complex species dodecabenzylbambus[6]uril-PF6-, dodecabenzylbambus[6]uril-AsF6-, and dodecabenzylbambus[6]uril-SbF6- were found. In all these complexes, the considered anions, incorporated in the ligand cavity, are bound by hydrogen bonds between methine hydrogen atoms on the convex face of glycoluril units of the dodecabenzylbambus[6]uril ligand and fluorine atoms of the respective \"central\" anion. Moreover, the interaction energies of the investigated three anionic complexes were calculated. The absolute values of these calculated energies increase in the series of SbF6- < AsF6- < PF6-.", "subjects" : [ { "otype" : "Classification", "mtid" : 10293, "link" : "/api/classification/10293", "label" : "Kémiai tudományok", "published" : true, "snippet" : true } ], "keywords" : [ { "otype" : "Keyword", "mtid" : 119, "link" : "/api/keyword/119", "label" : "COMPLEXATION", "published" : true, "oldId" : 119, "snippet" : true }, { "otype" : "Keyword", "mtid" : 1000358, "link" : "/api/keyword/1000358", "label" : "ANIONS", "published" : true, "oldId" : 1000358, "snippet" : true }, { "otype" : "Keyword", "mtid" : 1000973, "link" : "/api/keyword/1000973", "label" : "COORDINATION CHEMISTRY", "published" : true, "oldId" : 1000973, "snippet" : true }, { "otype" : "Keyword", "mtid" : 1008240, "link" : "/api/keyword/1008240", "label" : "density functional theory", "published" : true, "oldId" : 1008240, "snippet" : true }, { "otype" : "Keyword", "mtid" : 2045328, "link" : "/api/keyword/2045328", "label" : "Dodecabenzylbambus[6]uril", "published" : true, "snippet" : true } ], "digital" : null, "printed" : null, "sourceYear" : 2020, "foreignEdition" : true, "foreignLanguage" : true, "fullPublication" : true, "conferencePublication" : false, "nationalOrigin" : null, "missingAuthor" : false, "oaType" : "NONE", "oaCheckDate" : "2023-09-12", "oaFree" : false, "citationCount" : 0, "citationCountUnpublished" : 0, "citationCountWoOther" : 0, "independentCitCountWoOther" : 0, "doiCitationCount" : 0, "wosCitationCount" : 0, "scopusCitationCount" : 0, "independentCitationCount" : 0, "unhandledCitationCount" : 0, "citingPubCount" : 0, "independentCitingPubCount" : 0, "unhandledCitingPubCount" : 0, "citedPubCount" : 2, "citedCount" : 2, "ratings" : [ { "otype" : "SjrRating", "mtid" : 10763242, "link" : "/api/sjrrating/10763242", "label" : "sjr:Q3 (2020) Scopus - Chemistry (miscellaneous) MONATSHEFTE FUR CHEMIE 0026-9247 1434-4475", "listPos" : 235, "rankValue" : 0.74, "type" : "journal", "ratingType" : { "otype" : "RatingType", "mtid" : 10002, "link" : "/api/ratingtype/10002", "label" : "sjr", "code" : "sjr", "published" : true, "snippet" : true }, "subject" : { "otype" : "ClassificationExternal", "mtid" : 1601, "link" : "/api/classificationexternal/1601", "label" : "Scopus - Chemistry (miscellaneous)", "published" : true, "oldId" : 1601, "snippet" : true }, "ranking" : "Q3", "calculation" : "DIRECT", "published" : true, "snippet" : true } ], "ratingsForSort" : "Q3", "hasCitationDuplums" : false, "userChangeableUntil" : "2023-11-02T00:01:52.463+0000", "directInstitutesForSort" : "", "ownerAuthorCount" : 2, "ownerInstituteCount" : 10, "directInstituteCount" : 0, "authorCount" : 3, "contributorCount" : 0, "hasQualityFactor" : true, "link" : "/api/publication/31424367", "label" : "Bohm Stanislav et al. Theoretical study on the complexation of the hexafluorophosphate, hexafluoroarsenate, and hexafluoroantimonate anions with dodecabenzylbambus[6] uril. (2020) MONATSHEFTE FUR CHEMIE 0026-9247 1434-4475 151 3 369-375", "template" : "