{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,9,28]],"date-time":"2025-09-28T12:33:47Z","timestamp":1759062827767},"reference-count":38,"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":6332,"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":[[1998,5]]},"DOI":"10.1002\/(sici)1096-987x(199805)19:7<716::aid-jcc3>3.0.co;2-t","type":"journal-article","created":{"date-parts":[[2004,11,13]],"date-time":"2004-11-13T10:27:43Z","timestamp":1100341663000},"page":"716-725","source":"Crossref","is-referenced-by-count":19,"title":["Ab initio prediction of15N-NMR chemical shift in ?-boron nitride based on an analysis of connectivities"],"prefix":"10.1002","volume":"19","author":[{"given":"Marcus","family":"Gastreich","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Christel M.","family":"Marian","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","reference":[{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB1","doi-asserted-by":"crossref","first-page":"821","DOI":"10.1557\/PROC-271-821","volume":"271","author":"Baldus","year":"1992","journal-title":"Mater. Res. Soc. Symp. Proc."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB2","author":"Hoffbauer","year":"1997","unstructured":"unpublished results of SFB 408, 1997."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB3","doi-asserted-by":"crossref","first-page":"907","DOI":"10.1063\/1.475454","volume":"108","author":"Jeschke","year":"1998","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB4","doi-asserted-by":"crossref","first-page":"3240","DOI":"10.1021\/jp9623711","volume":"101","author":"DePaul","year":"1997","journal-title":"J. Phys. Chem. B"},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB5","doi-asserted-by":"crossref","first-page":"1001","DOI":"10.1002\/bbpc.199500022","volume":"99","author":"Gauss","year":"1995","journal-title":"Ber. Bunsenges. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB6","doi-asserted-by":"crossref","first-page":"80","DOI":"10.1016\/0009-2614(93)85608-Q","volume":"204","author":"Malkin","year":"1993","journal-title":"Chem. Phys. Lett."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB7","doi-asserted-by":"crossref","first-page":"87","DOI":"10.1016\/0009-2614(93)85609-R","volume":"204","author":"Malkin","year":"1993","journal-title":"Chem. Phys. Lett."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB8","doi-asserted-by":"crossref","first-page":"153","DOI":"10.1021\/ic00327a001","volume":"29","author":"von Ragu\u00e9 Schleyer","year":"1990","journal-title":"Inorg. Chem."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB9","doi-asserted-by":"crossref","first-page":"320","DOI":"10.1002\/ange.19901020325","volume":"102","author":"von Ragu\u00e9 Schleyer","year":"1990","journal-title":"Angew. Chem."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB10","doi-asserted-by":"crossref","first-page":"639","DOI":"10.1016\/0009-2614(96)00897-4","volume":"260","author":"Kollwitz","year":"1996","journal-title":"Chem. Phys. Lett."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB11","doi-asserted-by":"crossref","first-page":"491","DOI":"10.1016\/0009-2614(94)00772-1","volume":"226","author":"Schneider","year":"1994","journal-title":"Chem. Phys. Lett."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB12","author":"Bussemer","unstructured":"and Solid State Nucl. Magn. Reson., in press."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB13","doi-asserted-by":"crossref","first-page":"172","DOI":"10.1016\/0022-2364(86)90119-8","volume":"66","author":"Wrackmeyer","year":"1986","journal-title":"J. Magn. Res."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB14","doi-asserted-by":"crossref","first-page":"356","DOI":"10.1107\/S0365110X52001064","volume":"5","author":"Pease","year":"1952","journal-title":"Acta Cryst."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB15","author":"Oxford Molecular Group, Ltd.","year":"1997","unstructured":"Oxford Molecular Group, Ltd., DGauss, Revision B. 1, 1997."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB16","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(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB17","author":"Oxford Molecular Group, Ltd.","year":"1997","unstructured":"Oxford Molecular Group, Ltd., UniChem UC-5505, v. 4.0, 1997."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB18","volume-title":"Gaussian-94, Revision B.1","author":"Frisch","year":"1994","unstructured":"and Gaussian-94, Revision B.1, Gaussian Inc., Pittsburgh, PA 1994."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB19","doi-asserted-by":"crossref","first-page":"16551","DOI":"10.1021\/jp961732+","volume":"100","author":"M\u00fchlh\u00e4user","year":"1996","journal-title":"J. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB20","doi-asserted-by":"crossref","first-page":"165","DOI":"10.1016\/0009-2614(89)85118-8","volume":"162","author":"Ahlrichs","year":"1989","journal-title":"Chem. Phys. Lett."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB21","doi-asserted-by":"crossref","first-page":"104","DOI":"10.1002\/jcc.540100111","volume":"10","author":"H\u00e4ser","year":"1989","journal-title":"J. Comput. Chem."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB22","doi-asserted-by":"crossref","first-page":"789","DOI":"10.1080\/00268977400100711","volume":"27","author":"Ditchfield","year":"1974","journal-title":"Mol. Phys."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB23","volume-title":"NMR-Spektroskopie von Nichtmetallen","volume":"2","author":"Berger","year":"1992","unstructured":"and NMR-Spektroskopie von Nichtmetallen, Vol. 2, Thieme, Stuttgart 1992."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB24","doi-asserted-by":"crossref","first-page":"557","DOI":"10.1002\/mrc.1260330711","volume":"33","author":"Wrackmeyer","year":"1995","journal-title":"Magn. Reson. Chem."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB25","doi-asserted-by":"crossref","first-page":"812","DOI":"10.1002\/mrc.1260331008","volume":"33","author":"Wrackmeyer","year":"1995","journal-title":"Magn. Reson. Chem."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB26","doi-asserted-by":"crossref","first-page":"1881","DOI":"10.1051\/jcp\/1995921881","volume":"92","author":"Bonhomme","year":"1995","journal-title":"J. Chim. Phys."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB27","doi-asserted-by":"crossref","first-page":"2330","DOI":"10.1063\/1.470928","volume":"104","author":"van W\u00fcllen","year":"1996","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB28","first-page":"165","volume-title":"NMR: Basic Principles and Progress","volume":"23","author":"Kutzelnigg","year":"1991","unstructured":"and The IGLO-method: Ab-initio, calculation and interpretation of NMR chemical shifts and magnetic susceptibilities, In NMR: Basic Principles and Progress, Vol 23, Springer-Verlag, Berlin, 1991, p. 165."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB29","doi-asserted-by":"crossref","first-page":"5950","DOI":"10.1021\/ja00254a009","volume":"109","author":"Schindler","year":"1987","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB30","doi-asserted-by":"crossref","first-page":"6623","DOI":"10.1021\/ja00228a005","volume":"110","author":"Schindler","year":"1988","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB31","doi-asserted-by":"crossref","first-page":"505","DOI":"10.1016\/0009-2614(91)80166-U","volume":"183","author":"Chesnut","year":"1991","journal-title":"Chem. Phys. Lett."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB32","doi-asserted-by":"crossref","first-page":"1491","DOI":"10.1126\/science.8502992","volume":"260","author":"De Dios","year":"1993","journal-title":"Science"},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB33","doi-asserted-by":"crossref","first-page":"1403","DOI":"10.1021\/ja00083a028","volume":"116","author":"Lumsden","year":"1994","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB34","doi-asserted-by":"crossref","first-page":"1887","DOI":"10.1002\/cber.19941271011","volume":"127","author":"Stellberg","year":"1994","journal-title":"Chem. Ber."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB35","author":"Spiesecke","year":"1961","unstructured":"and Tetrahed. Lett., 468 (1961)."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB36","doi-asserted-by":"crossref","first-page":"1127","DOI":"10.1080\/00268977100103431","volume":"22","author":"Buckingham","year":"1971","journal-title":"Mol. Phys."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB37","author":"Gr\u00fcneich","unstructured":"and manuscript in preparation."},{"key":"10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T-BIB38","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/S0066-4103(08)60067-8","volume":"25","author":"Witanowski","year":"1993","journal-title":"Ann. Rep. NMR Spectrosc."}],"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(199805)19:7%3C716::AID-JCC3%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(199805)19:7%3C716::AID-JCC3%3E3.0.CO;2-T","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2021,7,1]],"date-time":"2021-07-01T09:43:55Z","timestamp":1625132635000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/(SICI)1096-987X(199805)19:7<716::AID-JCC3>3.0.CO;2-T"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1998,5]]},"references-count":38,"journal-issue":{"issue":"7","published-print":{"date-parts":[[1998,5]]}},"URL":"https:\/\/doi.org\/10.1002\/(sici)1096-987x(199805)19:7<716::aid-jcc3>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":[[1998,5]]}}}