{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,5]],"date-time":"2026-04-05T14:42:01Z","timestamp":1775400121081,"version":"3.50.1"},"reference-count":44,"publisher":"Wiley","issue":"13","license":[{"start":{"date-parts":[[2015,9,1]],"date-time":"2015-09-01T00:00:00Z","timestamp":1441065600000},"content-version":"tdm","delay-in-days":6544,"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":[[1997,10]]},"DOI":"10.1002\/(sici)1096-987x(199710)18:13<1609::aid-jcc4>3.0.co;2-v","type":"journal-article","created":{"date-parts":[[2002,8,24]],"date-time":"2002-08-24T15:54:48Z","timestamp":1030204488000},"page":"1609-1631","source":"Crossref","is-referenced-by-count":50,"title":["A density functional study of the glycine molecule: Comparison with post-Hartree-Fock calculations and experiment"],"prefix":"10.1002","volume":"18","author":[{"given":"D. T.","family":"Nguyen","sequence":"first","affiliation":[]},{"given":"A. C.","family":"Scheiner","sequence":"additional","affiliation":[]},{"given":"J. W.","family":"Andzelm","sequence":"additional","affiliation":[]},{"given":"S.","family":"Sirois","sequence":"additional","affiliation":[]},{"given":"D. R.","family":"Salahub","sequence":"additional","affiliation":[]},{"given":"A. T.","family":"Hagler","sequence":"additional","affiliation":[]}],"member":"311","reference":[{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB1","first-page":"2786","volume":"A33","author":"Becke","year":"1988","journal-title":"Phys. Rev."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB2","doi-asserted-by":"crossref","first-page":"785","DOI":"10.1103\/PhysRevB.37.785","volume":"B37","author":"Lee","year":"1988","journal-title":"Phys. Rev."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB3","volume-title":"Electronic Structures of Solids","author":"Perdew","year":"1991","unstructured":"Electronic Structures of Solids, Akademie Verlag, Berlin, 1991."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB4","doi-asserted-by":"crossref","first-page":"4391","DOI":"10.1021\/ja00037a055","volume":"114","author":"Sim","year":"1992","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB5","doi-asserted-by":"crossref","first-page":"1133","DOI":"10.1103\/PhysRev.140.A1133","volume":"A140","author":"Kohn","year":"1965","journal-title":"Phys. Rev."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB6","doi-asserted-by":"crossref","first-page":"217","DOI":"10.1002\/prot.340090307","volume":"9","author":"Bajorath","year":"1991","journal-title":"Proteins"},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB7","doi-asserted-by":"crossref","first-page":"6423","DOI":"10.1073\/pnas.88.15.6423","volume":"88","author":"Bajorath","year":"1991","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB8","doi-asserted-by":"crossref","first-page":"263","DOI":"10.1002\/prot.340110405","volume":"11","author":"Bajorath","year":"1991","journal-title":"Proteins"},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB9","doi-asserted-by":"crossref","first-page":"3759","DOI":"10.1021\/ja9433176","volume":"118","author":"Hagler","year":"1996","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB10","author":"Ewig","unstructured":"and unpublished results."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB11","doi-asserted-by":"crossref","first-page":"5873","DOI":"10.1021\/j100016a022","volume":"99","author":"Sun","year":"1995","journal-title":"J. Phys. Chem."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB12","doi-asserted-by":"crossref","first-page":"3904","DOI":"10.1021\/ja00088a029","volume":"116","author":"Liang","year":"1994","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB13","doi-asserted-by":"crossref","first-page":"131","DOI":"10.1016\/0010-4655(94)90208-9","volume":"84","author":"Hagler","year":"1994","journal-title":"Comput. Phys. Commun."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB14","doi-asserted-by":"crossref","first-page":"162","DOI":"10.1002\/jcc.540150207","volume":"15","author":"Maple","year":"1994","journal-title":"J. Comput. Chem."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB15","doi-asserted-by":"crossref","first-page":"2422","DOI":"10.1021\/ja00450a004","volume":"99","author":"Vishveshwara","year":"1977","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB16","author":"Brown","year":"1978","unstructured":"and JCS Chem. Commun. 547 (1978)."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB17","doi-asserted-by":"crossref","first-page":"372","DOI":"10.1016\/0022-2852(78)90137-6","volume":"72","author":"Suenram","year":"1978","journal-title":"J. Mol. Spec."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB18","doi-asserted-by":"crossref","first-page":"7728","DOI":"10.1021\/ja00492a048","volume":"100","author":"Sellers","year":"1978","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB19","doi-asserted-by":"crossref","first-page":"7180","DOI":"10.1021\/ja00544a002","volume":"102","author":"Suenram","year":"1980","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB20","doi-asserted-by":"crossref","first-page":"6566","DOI":"10.1021\/ja00541a036","volume":"102","author":"Sch\ufffdfer","year":"1980","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB21","doi-asserted-by":"crossref","first-page":"266","DOI":"10.1002\/jcc.540020308","volume":"2","author":"Dykstra","year":"1981","journal-title":"J. Comput. Chem."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB22","doi-asserted-by":"crossref","first-page":"257","DOI":"10.1016\/0022-2860(91)80132-N","volume":"246","author":"Iijima","year":"1991","journal-title":"J. Mol. Struct."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB23","doi-asserted-by":"crossref","first-page":"7971","DOI":"10.1021\/ja00021a015","volume":"113","author":"Jensen","year":"1991","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB24","doi-asserted-by":"crossref","first-page":"9568","DOI":"10.1021\/ja00050a041","volume":"114","author":"Cs\ufffdsz\ufffdr","year":"1992","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB25","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/0166-1280(91)85078-L","volume":"235","author":"Ramek","year":"1991","journal-title":"J. Mol. Struct., (Theochem."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB26","doi-asserted-by":"crossref","first-page":"5369","DOI":"10.1021\/ja00039a057","volume":"114","author":"Frey","year":"1992","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB27","doi-asserted-by":"crossref","first-page":"2923","DOI":"10.1021\/ja00060a046","volume":"115","author":"Hu","year":"1993","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB28","doi-asserted-by":"crossref","first-page":"2019","DOI":"10.1021\/ja00112a015","volume":"117","author":"Godfrey","year":"1995","journal-title":"J. Am. Chem. Soc."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB29","doi-asserted-by":"crossref","first-page":"65","DOI":"10.1016\/0022-2860(95)09065-7","volume":"376","author":"Godfrey","year":"1996","journal-title":"J. Mol. Struct."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB30","doi-asserted-by":"crossref","first-page":"387","DOI":"10.1016\/0009-2614(90)87064-X","volume":"169","author":"St-Amant","year":"1990","journal-title":"Chem. Phys. Lett."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB31","author":"Baker","unstructured":"and Unpublished results."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB32","doi-asserted-by":"crossref","first-page":"8822","DOI":"10.1103\/PhysRevB.33.8822","volume":"B33","author":"Perdew","year":"1986","journal-title":"Phys. Rev."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB33","doi-asserted-by":"crossref","first-page":"13244","DOI":"10.1103\/PhysRevB.45.13244","volume":"B45","author":"Perdew","year":"1992","journal-title":"Phys. Rev."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB34","doi-asserted-by":"crossref","first-page":"5648","DOI":"10.1063\/1.464913","volume":"98","author":"Becke","year":"1993","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB35","doi-asserted-by":"crossref","first-page":"60","DOI":"10.1139\/v92-079","volume":"70","author":"Godbout","year":"1992","journal-title":"Can. J. Chem."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB36","volume-title":"Ab Initio Methods in Quantum Chemistry","author":"Schlegel","year":"1987","unstructured":"Ab Initio Methods in Quantum Chemistry, Wiley, New York, 1987."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB37","doi-asserted-by":"crossref","first-page":"5612","DOI":"10.1063\/1.464906","volume":"98","author":"Johnson","year":"1993","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB38","doi-asserted-by":"crossref","first-page":"8894","DOI":"10.1063\/1.468081","volume":"101","author":"Baker","year":"1994","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB39","first-page":"1200","volume":"58","author":"Vosko","year":"1980","journal-title":"Can. J. Chem."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB40","doi-asserted-by":"crossref","first-page":"3098","DOI":"10.1103\/PhysRevA.38.3098","volume":"A38","author":"Becke","year":"1988","journal-title":"Phys. Rev."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB41","doi-asserted-by":"crossref","first-page":"189","DOI":"10.1016\/0009-2614(94)01156-7","volume":"230","author":"Lelj","year":"1994","journal-title":"Chem. Phys. Lett."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB42","doi-asserted-by":"crossref","first-page":"364","DOI":"10.1063\/1.469411","volume":"102","author":"Barone","year":"1995","journal-title":"J. Chem. Phys."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB43","doi-asserted-by":"crossref","first-page":"733","DOI":"10.1002\/qua.560560609","volume":"56","author":"Andzelm","year":"1995","journal-title":"Int. J. Quant. Chem."},{"key":"10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V-BIB44","volume-title":"Microwave Spectroscopy","author":"Townes","year":"1955","unstructured":"and Microwave Spectroscopy, McGraw-Hill, New York, 1955."}],"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(199710)18:13%3C1609::AID-JCC4%3E3.0.CO;2-V","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/full\/10.1002\/(SICI)1096-987X(199710)18:13%3C1609::AID-JCC4%3E3.0.CO;2-V","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2021,7,1]],"date-time":"2021-07-01T10:25:05Z","timestamp":1625135105000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/(SICI)1096-987X(199710)18:13<1609::AID-JCC4>3.0.CO;2-V"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1997,10]]},"references-count":44,"journal-issue":{"issue":"13","published-print":{"date-parts":[[1997,10]]}},"URL":"https:\/\/doi.org\/10.1002\/(sici)1096-987x(199710)18:13<1609::aid-jcc4>3.0.co;2-v","relation":{},"ISSN":["0192-8651","1096-987X"],"issn-type":[{"value":"0192-8651","type":"print"},{"value":"1096-987X","type":"electronic"}],"subject":[],"published":{"date-parts":[[1997,10]]}}}