{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,9,28]],"date-time":"2025-09-28T12:32:57Z","timestamp":1759062777443},"reference-count":33,"publisher":"Wiley","issue":"7","license":[{"start":{"date-parts":[[2015,9,1]],"date-time":"2015-09-01T00:00:00Z","timestamp":1441065600000},"content-version":"tdm","delay-in-days":7062,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Comput. Chem."],"published-print":{"date-parts":[[1996,5]]},"DOI":"10.1002\/(sici)1096-987x(199605)17:7<835::aid-jcc7>3.0.co;2-t","type":"journal-article","created":{"date-parts":[[2003,3,18]],"date-time":"2003-03-18T23:03:10Z","timestamp":1048028590000},"page":"835-840","source":"Crossref","is-referenced-by-count":50,"title":["Density functional Gaussian-type orbital approach in theoretical study of S2F2 isomerization"],"prefix":"10.1002","volume":"17","author":[{"given":"Branko S.","family":"Jursic","sequence":"first","affiliation":[]}],"member":"311","reference":[{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB1.1","volume-title":"Density Functional Theory of Atoms and Molecules","author":"Parr","year":"1989","unstructured":"(a) and Density Functional Theory of Atoms and Molecules, Oxford University Press, New York, 1989;"},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB1.2","doi-asserted-by":"crossref","DOI":"10.1007\/978-1-4612-3136-3","volume-title":"Density Functional Methods in Chemistry","author":"Labonowski","year":"1991","unstructured":"(b) and Eds., Density Functional Methods in Chemistry, Springer-Verlag, New York, 1991;"},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB1.3","doi-asserted-by":"crossref","first-page":"615","DOI":"10.1146\/annurev.pc.42.100191.003151","volume":"41","author":"Raghavachari","year":"1991","journal-title":"Annu. Rev. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB1.4","doi-asserted-by":"crossref","first-page":"394","DOI":"10.1126\/science.254.5030.394","volume":"254","author":"Bauschlicher","year":"1991","journal-title":"Science"},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB2.1","volume-title":"Exploring Chemistry with Electronic Structural Methods: A Guide to Using Gaussian","author":"Foresman","year":"1993","unstructured":"For ab initio methods and calculations, see and Exploring Chemistry with Electronic Structural Methods: A Guide to Using Gaussian, Gaussian Inc., Pittsburgh, PA, 1993;"},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB2.2","volume-title":"Experiments in Computational Organic Chemistry","author":"Hehre","year":"1993","unstructured":"and Experiments in Computational Organic Chemistry, Wavefunction, Irvine, CA, 1993;"},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB2.3","volume-title":"Ab Initio Molecular Orbital Theory","author":"Hehre","year":"1986","unstructured":"and Ab Initio Molecular Orbital Theory, John Wiley & Sons, New York, 1986."},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB3.1","doi-asserted-by":"crossref","first-page":"651","DOI":"10.1021\/cr00005a001","volume":"91","author":"Ziegler","year":"1991","journal-title":"Chem. Rev."},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB3.2","doi-asserted-by":"crossref","first-page":"10890","DOI":"10.1021\/ja00053a027","volume":"114","author":"Fan","year":"1992","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB3.3","doi-asserted-by":"crossref","first-page":"1280","DOI":"10.1063\/1.462165","volume":"96","author":"Andzelm","year":"1992","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB3.4","doi-asserted-by":"crossref","first-page":"8004","DOI":"10.1063\/1.464554","volume":"98","author":"Sosa","year":"1993","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB3.5","doi-asserted-by":"crossref","first-page":"10645","DOI":"10.1021\/ja00102a034","volume":"116","author":"Deng","year":"1994","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB4.1","author":"Gill","unstructured":"(a) and Int. J. Quant. Chem. Symp., in press;"},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB4.2","doi-asserted-by":"crossref","first-page":"3098","DOI":"10.1103\/PhysRevA.38.3098","volume":"38","author":"Becke","year":"1988","journal-title":"Phys. Rev. A"},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB4.3","doi-asserted-by":"crossref","first-page":"785","DOI":"10.1103\/PhysRevB.37.785","volume":"37","author":"Lee","year":"1988","journal-title":"Phys, Rev. B."},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB5","first-page":"7528","volume":"97","author":"Scuseri","year":"1992","journal-title":"J. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB6","doi-asserted-by":"crossref","first-page":"1223","DOI":"10.1039\/P29950001223","volume":"2","author":"Jursic","year":"1995","journal-title":"J. Chem. Soc. Perkin Trans."},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB7.1","doi-asserted-by":"crossref","first-page":"161","DOI":"10.1002\/qua.560540304","volume":"54","author":"Jursic","year":"1995","journal-title":"Int. J. Quant. Chem."},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB7.2","doi-asserted-by":"crossref","first-page":"206","DOI":"10.1016\/0009-2614(95)00200-N","volume":"236","author":"Jursic","year":"1995","journal-title":"Chem. Phys. Lett."},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB8","doi-asserted-by":"crossref","first-page":"115","DOI":"10.1002\/qua.560560206","volume":"56","author":"Jursic","year":"1995","journal-title":"Int. J. Quant. Chem."},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB9","doi-asserted-by":"crossref","first-page":"347","DOI":"10.1016\/0166-1280(89)87055-1","volume":"186","author":"Jug","year":"1989","journal-title":"J. Mol. Struct. (Theochem)"},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB10.1","doi-asserted-by":"crossref","first-page":"127","DOI":"10.1016\/0022-2860(79)80192-1","volume":"55","author":"Hinchliffe","year":"1979","journal-title":"J. Mol. Struct."},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB10.2","doi-asserted-by":"crossref","first-page":"463","DOI":"10.1515\/zna-1983-0411","volume":"38","author":"Kr\u00fcger","year":"1983","journal-title":"Naturforsch A"},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB11","volume-title":"Gaussian 92\/DFT, revision G.2","author":"Frisch","year":"1993","unstructured":"and Gaussian 92\/DFT, revision G.2, Gaussian Inc., Pittsburgh PA 1993."},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB12","doi-asserted-by":"crossref","first-page":"163","DOI":"10.1093\/comjnl\/6.2.163","volume":"6","author":"Fletcher","year":"1963","journal-title":"Comput. J."},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB13","doi-asserted-by":"crossref","first-page":"69","DOI":"10.1103\/RevModPhys.23.69","volume":"23","author":"Roothaan","year":"1951","journal-title":"J. Rev. Mod. Phys."},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB14","doi-asserted-by":"crossref","first-page":"280","DOI":"10.1002\/jcc.540050312","volume":"5","author":"Carsky","year":"1984","journal-title":"J. Comput. Chem."},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB15","doi-asserted-by":"crossref","first-page":"1200","DOI":"10.1139\/p80-159","volume":"58","author":"Vosko","year":"1980","journal-title":"Can. J. Phys."},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB16.1","first-page":"8820","volume":"33","author":"Perdew","year":"1986","journal-title":"Phys. Rev."},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB16.2","first-page":"7408","volume":"34","author":"Perdew","year":"1986","journal-title":"Phys. Rev."},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB17","doi-asserted-by":"crossref","first-page":"3617","DOI":"10.1021\/ja01072a005","volume":"86","author":"Kuczkowski","year":"1964","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB18","doi-asserted-by":"crossref","first-page":"169","DOI":"10.1002\/zaac.19855301120","volume":"530","author":"L\u00f6sking","year":"1985","journal-title":"Anorg. Allg. Chem."},{"key":"10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T-BIB19","volume-title":"Advanced Inorganic Chemistry","author":"Cotton","year":"1988","unstructured":"and Advanced Inorganic Chemistry, 5th ed., John Wiley & Sons, New York, 1988."}],"container-title":["Journal of Computational Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2F(SICI)1096-987X(199605)17:7%3C835::AID-JCC7%3E3.0.CO;2-T","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/full\/10.1002\/(SICI)1096-987X(199605)17:7%3C835::AID-JCC7%3E3.0.CO;2-T","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,3]],"date-time":"2023-04-03T00:53:01Z","timestamp":1680483181000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/(SICI)1096-987X(199605)17:7<835::AID-JCC7>3.0.CO;2-T"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1996,5]]},"references-count":33,"journal-issue":{"issue":"7","published-print":{"date-parts":[[1996,5]]}},"URL":"https:\/\/doi.org\/10.1002\/(sici)1096-987x(199605)17:7<835::aid-jcc7>3.0.co;2-t","relation":{},"ISSN":["0192-8651","1096-987X"],"issn-type":[{"value":"0192-8651","type":"print"},{"value":"1096-987X","type":"electronic"}],"subject":[],"published":{"date-parts":[[1996,5]]}}}