{ "labelLang" : "hun", "responseDate" : "2024-03-29 10:51", "content" : { "otype" : "JournalArticle", "mtid" : 23645580, "status" : "APPROVED", "published" : true, "comment" : "Funding Agency and Grant Number: US Department of Energy, Office of Basic Energy SciencesUnited States Department of Energy (DOE) [DE-FG02-00ER14748]; Office of Science of the US Department of EnergyUnited States Department of Energy (DOE) [DE-AC02-05CH11231]\n Funding text: T. Lu thanks Dr. Steven E. Wheeler and Dr. Yaoming Xie for their insightful discussions. This research was supported by the US Department of Energy, Office of Basic Energy Sciences, Grant No. DE-FG02-00ER14748 and used the resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231.\nCenter for Computational Quantum Chemistry, University of Georgia, Athens, GA 30602, United States \n College of Chemistry, Beijing Normal University, Beijing 100875, China \n Cited By :13 \n Export Date: 2 September 2021 \n CODEN: JMOSB \n Correspondence Address: Schaefer III, H.F.; Center for Computational Quantum Chemistry, , Athens, GA 30602, United States; email: qc@uga.edu", "unhandledTickets" : 0, "oldTimestamp" : "2018-10-01T21:57:29.000+0000", "deleted" : false, "oldId" : 13645580, "lastRefresh" : "2024-03-27T08:41:42.500+0000", "lastModified" : "2021-05-04T08:17:38.410+0000", "created" : "2014-01-30T14:37:47.000+0000", "creator" : { "otype" : "Author", "mtid" : 10011269, "link" : "/api/author/10011269", "label" : "Csizmadia Imre Gyula (számítógépes kémia)", "familyName" : "Csizmadia", "givenName" : "Imre Gyula", "published" : true, "oldId" : 10011269, "snippet" : true }, "lastDuplumSearch" : "2024-03-27T08:36:50.679+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" : "Lu, TX", "authorships" : [ { "otype" : "PersonAuthorship", "mtid" : 32058769, "link" : "/api/authorship/32058769", "label" : "Lu, TX", "listPosition" : 1, "share" : 0.0, "first" : true, "last" : false, "familyName" : "Lu", "givenName" : "TX", "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, "oldId" : 51594808, "snippet" : true }, { "otype" : "PersonAuthorship", "mtid" : 32058770, "link" : "/api/authorship/32058770", "label" : "Hao, Q", "listPosition" : 2, "share" : 0.0, "first" : false, "last" : false, "familyName" : "Hao", "givenName" : "Q", "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, "oldId" : 51594807, "snippet" : true }, { "otype" : "PersonAuthorship", "mtid" : 32058771, "link" : "/api/authorship/32058771", "label" : "Wilke, JJ", "listPosition" : 3, "share" : 0.0, "first" : false, "last" : false, "familyName" : "Wilke", "givenName" : "JJ", "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, "oldId" : 51594806, "snippet" : true }, { "otype" : "PersonAuthorship", "mtid" : 32058772, "link" : "/api/authorship/32058772", "label" : "Yamaguchi, Y", "listPosition" : 4, "share" : 0.0, "first" : false, "last" : false, "familyName" : "Yamaguchi", "givenName" : "Y", "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, "oldId" : 51594805, "snippet" : true }, { "otype" : "PersonAuthorship", "mtid" : 32058773, "link" : "/api/authorship/32058773", "label" : "Fang, DC", "listPosition" : 5, "share" : 0.0, "first" : false, "last" : false, "familyName" : "Fang", "givenName" : "DC", "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, "oldId" : 51594804, "snippet" : true }, { "otype" : "PersonAuthorship", "mtid" : 32058774, "link" : "/api/authorship/32058774", "label" : "Schaefer, HF", "listPosition" : 6, "share" : 0.0, "first" : false, "last" : true, "familyName" : "Schaefer", "givenName" : "HF", "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, "oldId" : 51594803, "snippet" : true } ], "title" : "Silylidene (SiCH2) and its isomers: Anharmonic rovibrational analyses for silylidene, silaacetylene, and silavinylidene", "identifiers" : [ { "otype" : "PublicationIdentifier", "mtid" : 7212721, "link" : "/api/publicationidentifier/7212721", "label" : "DOI: 10.1016/j.molstruc.2011.10.032", "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" : "10.1016/j.molstruc.2011.10.032", "realUrl" : "https://doi.org/10.1016/j.molstruc.2011.10.032", "published" : false, "oldId" : 5063353, "snippet" : true }, { "otype" : "PublicationIdentifier", "mtid" : 23174819, "link" : "/api/publicationidentifier/23174819", "label" : "ISSN: 1872-8014", "source" : { "otype" : "PlainSource", "mtid" : 123, "link" : "/api/publicationsource/123", "label" : "ISSN", "type" : { "otype" : "PublicationSourceType", "mtid" : 10002, "link" : "/api/publicationsourcetype/10002", "label" : "Egyéb", "mayHaveOa" : false, "published" : true, "snippet" : true }, "name" : "ISSN", "nameEng" : "ISSN", "linkPattern" : "https://portal.issn.org/resource/ISSN/@@@", "publiclyVisible" : true, "published" : true, "oldId" : 123, "snippet" : true }, "oaType" : "NONE", "validState" : "IDENTICAL", "idValue" : "1872-8014", "realUrl" : "https://portal.issn.org/resource/ISSN/1872-8014", "published" : false, "snippet" : true }, { "otype" : "PublicationIdentifier", "mtid" : 7212720, "link" : "/api/publicationidentifier/7212720", "label" : "WoS: 000301315900015", "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" : "000301315900015", "realUrl" : "https://www.webofscience.com/wos/woscc/full-record/000301315900015", "published" : false, "oldId" : 5063352, "snippet" : true }, { "otype" : "PublicationIdentifier", "mtid" : 14889814, "link" : "/api/publicationidentifier/14889814", "label" : "Scopus: 84856953676", "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 }, "validState" : "IDENTICAL", "idValue" : "84856953676", "realUrl" : "http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-84856953676", "published" : false, "oldId" : 10583962, "snippet" : true } ], "journal" : { "otype" : "Journal", "mtid" : 2677, "link" : "/api/journal/2677", "label" : "JOURNAL OF MOLECULAR STRUCTURE 0022-2860 1872-8014", "pIssn" : "0022-2860", "eIssn" : "1872-8014", "reviewType" : "REVIEWED", "noIF" : false, "sciIndexed" : true, "scopusIndexed" : true, "lang" : "FOREIGN", "hungarian" : false, "published" : true, "oldId" : 2677, "snippet" : true }, "volume" : "1009", "firstPage" : "103", "lastPage" : "110", "firstPageOrInternalIdForSort" : "103", "pageLength" : 8, "publishedYear" : 2012, "digital" : null, "printed" : null, "sourceYear" : 2014, "packet" : "663368", "foreignEdition" : true, "foreignLanguage" : true, "fullPublication" : true, "conferencePublication" : false, "nationalOrigin" : null, "missingAuthor" : false, "oaType" : "NONE", "oaCheckDate" : "2024-03-27", "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" : 14, "citedCount" : 14, "ratings" : [ { "otype" : "SjrRating", "mtid" : 5644885, "link" : "/api/sjrrating/5644885", "label" : "sjr:Q3 (2012) Scopus - Analytical Chemistry JOURNAL OF MOLECULAR STRUCTURE 0022-2860", "listPos" : 54, "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" : 1602, "link" : "/api/classificationexternal/1602", "label" : "Scopus - Analytical Chemistry", "published" : true, "oldId" : 1602, "snippet" : true }, "ranking" : "Q3", "calculation" : "DIRECT", "published" : true, "oldId" : 5644885, "snippet" : true } ], "ratingsForSort" : "Q3", "referenceList" : "Aarset K, 2000, J CHEM PHYS, V112, P4053, DOI 10.1063/1.481596\n\nALLEN WD, 1993, NATO ADV SCI INST SE, V410, P343\n\nAllen WD, 1996, MOL PHYS, V89, P1213, DOI 10.1080/002689796173138\n\nALLEN WD, 1990, CHEM PHYS, V145, P427, DOI 10.1016/0301-0104(90)87051-C\n\nApeloig Y., 1989, CHEM ORGANIC SILICON, P57, DOI 10.1002/0470025107.ch2\n\nBALASUBRAMANIAN K, 1997, RELATIVISTIC EFFEC A\n\nBalasubramanian K., 1997, RELATIVISTIC EFFEC B\n\nBALDRIDGE KK, 1987, ANNU REV PHYS CHEM, V38, P211\n\nBARTLETT RJ, 1990, CHEM PHYS LETT, V167, P609\n\nBARTLETT RJ, 1990, CHEM PHYS LETT, V165, P513, DOI 10.1016/0009-2614(90)87031-L\n\nBengali A.A., 1992, THESIS U MINNESOTA\n\nBergmann D, 1996, ANGEW CHEM INT EDIT, V35, P150, DOI 10.1002/anie.199601501\n\nCLABO DA, 1988, CHEM PHYS, V123, P187, DOI 10.1016/0301-0104(88)87271-9\n\nCOWAN RD, 1976, J OPT SOC AM, V66, P1010, DOI 10.1364/JOSA.66.001010\n\nALLEN WD, 1993, J CHEM PHYS, V98, P2983, DOI 10.1063/1.464127\n\nCSASZAR AG, 1988, J CHEM PHYS, V89, P7646\n\nCsaszar AG, 1998, J CHEM PHYS, V108, P9751, DOI 10.1063/1.476449\n\nCsaszar AG, 2001, NATO SCI SER II-MATH, V20, P317\n\nDAMRAUER R, 1988, J AM CHEM SOC, V110, P2005, DOI 10.1021/ja00214a077\n\nDamrauer R, 2008, ORGANOMETALLICS, V27, P1707, DOI 10.1021/om701220s\n\nDUNNING TH, 1989, J CHEM PHYS, V90, P1007, DOI 10.1063/1.456153\n\nDurig J. R., 1977, VIBRATIONAL SPECTRA, V6, P1\n\nEAST ALL, 1993, J CHEM PHYS, V99, P4638, DOI 10.1063/1.466062\n\nERVIN KM, 1989, J CHEM PHYS, V91, P5974, DOI 10.1063/1.457415\n\nFELLER D, 1993, J CHEM PHYS, V98, P7059, DOI 10.1063/1.2137323\n\nGALLO MM, 1990, J AM CHEM SOC, V112, P8714, DOI 10.1021/ja00180a011\n\nGAUSS J, 1991, CHEM PHYS LETT, V182, P207, DOI 10.1016/0009-2614(91)80203-A\n\nGiju KT, 2005, J PHYS CHEM A, V109, P2925, DOI 10.1021/jp050463x\n\nGonzales JM, 2003, CHEM-EUR J, V9, P2173, DOI 10.1002/chem.200204408\n\nGORDON MS, 1981, J AM CHEM SOC, V103, P2945, DOI 10.1021/ja00401a006\n\nGORDON MS, 1982, J AM CHEM SOC, V104, P4352, DOI 10.1021/ja00380a007\n\nGUTOWSKY HS, 1991, J AM CHEM SOC, V113, P4747, DOI 10.1021/ja00013a006\n\nHAMMOND GS, 1955, J AM CHEM SOC, V77, P334, DOI 10.1021/ja01607a027\n\nHandy NC, 1996, CHEM PHYS LETT, V252, P425, DOI 10.1016/0009-2614(96)00171-6\n\nHANDY NC, 1986, J CHEM PHYS, V84, P4481, DOI 10.1063/1.450020\n\nHarper WW, 1997, J CHEM PHYS, V107, P8829, DOI 10.1063/1.475175\n\nHarper WW, 1997, J AM CHEM SOC, V119, P8361, DOI 10.1021/ja9716012\n\nHelgaker T, 1997, J CHEM PHYS, V106, P9639, DOI 10.1063/1.473863\n\nHilliard RK, 1997, J CHEM PHYS, V107, P8823, DOI 10.1063/1.475174\n\nHOFFMANN MR, 1983, J AM CHEM SOC, V105, P1084, DOI 10.1021/ja00343a002\n\nHOPKINSON AC, 1983, CHEM PHYS LETT, V95, P232, DOI 10.1016/0009-2614(83)87238-8\n\nHopkinson A.C., 1980, J CHEM SOC CHEM COMM, V107\n\nIoannou AG, 1996, CHEM PHYS LETT, V251, P52, DOI 10.1016/0009-2614(96)00092-9\n\nIzuha M, 1996, J CHEM PHYS, V105, P4923, DOI 10.1063/1.472343\n\nJAYATILAKA D, 1993, J CHEM PHYS, V98, P9734, DOI 10.1063/1.464352\n\nKallay M, 2001, J CHEM PHYS, V115, P2945, DOI 10.1063/1.1383290\n\nKarni M, 2001, CHEM ORGANIC SILICON, P1\n\nKing GW, 1943, J CHEM PHYS, V11, P27, DOI 10.1063/1.1723778\n\nKNOWLES PJ, 1985, CHEM PHYS LETT, V115, P259, DOI 10.1016/0009-2614(85)80025-7\n\nKUTZELNIGG W, 1984, ANGEW CHEM INT EDIT, V23, P272, DOI 10.1002/anie.198402721\n\nKutzelnigg W, 1997, MOL PHYS, V90, P909\n\nLECLERCQ H, 1979, J MOL SPECTROSC, V76, P39, DOI 10.1016/0022-2852(79)90216-9\n\nLu XH, 2006, J MOL STRUC-THEOCHEM, V770, P185, DOI 10.1016/j.theochem.2006.06.001\n\nLUKE BT, 1986, J AM CHEM SOC, V108, P270, DOI 10.1021/ja00262a014\n\nMills I. M., 1972, Molecular Spectroscopy: Modern Research\n\nMurrell J.N., 1977, J CHEM SOC CHEM COMM, V619\n\nNGUYEN MT, 1995, CHEM PHYS LETT, V244, P83, DOI 10.1016/0009-2614(95)00887-A\n\nNIELSEN HH, 1951, REV MOD PHYS, V23, P90, DOI 10.1103/RevModPhys.23.90\n\nNOGA J, 1987, J CHEM PHYS, V86, P7041, DOI 10.1063/1.452353\n\nNOGA J, 1988, J CHEM PHYS, V89, P3401, DOI 10.1063/1.455742\n\nPapousek D., 1982, MOL VIBRATIONAL ROTA\n\nPERERA SA, 1993, CHEM PHYS LETT, V216, P606\n\nPeterson K. A., 2002, J CHEM PHYS, V117\n\nPURVIS GD, 1982, J CHEM PHYS, V76, P1910, DOI 10.1063/1.443164\n\nRAABE G, 1985, CHEM REV, V85, P419, DOI 10.1021/cr00069a005\n\nRAGHAVACHARI K, 1989, CHEM PHYS LETT, V157, P479, DOI 10.1016/S0009-2614(89)87395-6\n\nRITTBY M, 1988, J PHYS CHEM-US, V92, P3033, DOI 10.1021/j100322a004\n\nSCHAEFER HF, 1982, ACCOUNTS CHEM RES, V15, P283, DOI 10.1021/ar00081a003\n\nSchuurman MS, 2004, J CHEM PHYS, V120, P11586, DOI 10.1063/1.1707013\n\nSCUSERIA GE, 1988, CHEM PHYS LETT, V152, P382, DOI 10.1016/0009-2614(88)80110-6\n\nSCUSERIA GE, 1987, J CHEM PHYS, V86, P2881, DOI 10.1063/1.452039\n\nSCUSERIA GE, 1988, J CHEM PHYS, V89, P7382, DOI 10.1063/1.455269\n\nSHERRILL CD, 1995, J PHYS CHEM-US, V99, P1949, DOI 10.1021/j100007a026\n\nSmith TC, 2003, J CHEM PHYS, V118, P1642, DOI 10.1063/1.1531618\n\nSmith TC, 2001, J CHEM PHYS, V114, P9012, DOI 10.1063/1.1368384\n\nSRINIVAS R, 1991, J AM CHEM SOC, V113, P52, DOI 10.1021/ja00001a010\n\nStanton J.F., ACES2 MAINZ AUSTIN B\n\nStegmann R., 1996, Journal of Computational Chemistry, V17, DOI 10.1002/(SICI)1096-987X(199605)17:7<781::AID-JCC3>3.0.CO;2-O\n\nTarczay G, 2001, MOL PHYS, V99, P1769, DOI 10.1080/00268970110073907\n\nValeev EF, 2003, J CHEM PHYS, V118, P3921, DOI 10.1063/1.1540626\n\nWATTS JD, 1990, J CHEM PHYS, V93, P6104, DOI 10.1063/1.459002\n\nWerner H.-J., MOLPRO VERSION 2006\n\nWERNER HJ, 1985, J CHEM PHYS, V82, P5053, DOI 10.1063/1.448627\n\nWIBERG N, 1985, ANGEW CHEM INT EDIT, V24, P229, DOI 10.1002/anie.198502291\n\nWilke J.J., GRENDEL GEN ENERGY D\n\nWilke JJ, 2008, J CHEM PHYS, V128, DOI 10.1063/1.2827133\n\nWOON DE, 1995, J CHEM PHYS, V103, P4572, DOI 10.1063/1.470645\n\nWOON DE, 1993, J CHEM PHYS, V98, P1358, DOI 10.1063/1.464303", "hasCitationDuplums" : false, "userChangeableUntil" : "2014-04-30T13:40:24.000+0000", "publishDate" : "2014-01-30T14:40:24.000+0000", "directInstitutesForSort" : "", "ownerAuthorCount" : 7, "ownerInstituteCount" : 42, "directInstituteCount" : 0, "authorCount" : 6, "contributorCount" : 0, "hasQualityFactor" : true, "link" : "/api/publication/23645580", "label" : "Lu TX et al. Silylidene (SiCH2) and its isomers: Anharmonic rovibrational analyses for silylidene, silaacetylene, and silavinylidene. (2012) JOURNAL OF MOLECULAR STRUCTURE 0022-2860 1872-8014 1009 103-110", "template" : "