{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,26]],"date-time":"2026-03-26T19:47:51Z","timestamp":1774554471091,"version":"3.50.1"},"reference-count":40,"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":5722,"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":[[2000,10]]},"DOI":"10.1002\/1096-987x(200010)21:13<1153::aid-jcc4>3.0.co;2-v","type":"journal-article","created":{"date-parts":[[2004,11,14]],"date-time":"2004-11-14T03:15:03Z","timestamp":1100402103000},"page":"1153-1166","source":"Crossref","is-referenced-by-count":26,"title":["Structures and properties of lanthanide and actinide complexes by a new density functional approach: Lanthanum, gadolinium, lutetium, and thorium halides as case studies"],"prefix":"10.1002","volume":"21","author":[{"given":"Carlo","family":"Adamo","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Vincenzo","family":"Barone","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2000]]},"reference":[{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB1","volume-title":"Separation Chemistry for Lanthanides and Trivalent Actinides","author":"Nash","year":"1994","unstructured":"Separation Chemistry for Lanthanides and Trivalent Actinides; Elsevier Science: Amsterdam, 1994."},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB2","doi-asserted-by":"crossref","first-page":"563","DOI":"10.1021\/cr00085a006","volume":"88","author":"Pyykk\u00f6","year":"1988","journal-title":"Chem Rev"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB3","first-page":"1","volume":"32","author":"Quiney","year":"1999","journal-title":"Adv Quantum Chem"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB4","doi-asserted-by":"crossref","first-page":"45","DOI":"10.1016\/S0065-3276(08)60478-5","volume":"36","author":"Adamo","year":"1999","journal-title":"Adv Quantum Chem"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB5","doi-asserted-by":"crossref","first-page":"17085","DOI":"10.1021\/j100047a007","volume":"99","author":"Russo","year":"1995","journal-title":"J Phys Chem"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB6","doi-asserted-by":"crossref","first-page":"899","DOI":"10.1021\/cr00088a005","volume":"88","author":"Reed","year":"1988","journal-title":"Chem Rev"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB7","doi-asserted-by":"crossref","first-page":"8333","DOI":"10.1021\/ja00204a001","volume":"111","author":"Cioslowski","year":"1989","journal-title":"J Am Chem Soc"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB8","doi-asserted-by":"crossref","first-page":"35","DOI":"10.1016\/0010-8545(88)80013-4","volume":"91","author":"Hargittai","year":"1988","journal-title":"Coord Chem Rev"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB9","doi-asserted-by":"crossref","first-page":"6158","DOI":"10.1063\/1.478522","volume":"110","author":"Adamo","year":"1999","journal-title":"J Chem Phys"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB10","doi-asserted-by":"crossref","first-page":"3865","DOI":"10.1103\/PhysRevLett.77.3865","volume":"77","author":"Perdew","year":"1996","journal-title":"Phys Rev Lett"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB11","doi-asserted-by":"crossref","first-page":"242","DOI":"10.1016\/S0009-2614(98)01201-9","volume":"298","author":"Adamo","year":"1998","journal-title":"Chem Phys Lett"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB12","doi-asserted-by":"crossref","first-page":"3717","DOI":"10.1063\/1.466360","volume":"100","author":"Minichino","year":"1994","journal-title":"J Chem Phys"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB13","doi-asserted-by":"crossref","first-page":"11659","DOI":"10.1021\/j100030a007","volume":"99","author":"Barone","year":"1995","journal-title":"J Phys Chem"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB14","doi-asserted-by":"crossref","first-page":"436","DOI":"10.1021\/je60075a016","volume":"22","author":"Myers","year":"1977","journal-title":"J Chem Eng Data"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB15","first-page":"441","volume":"62","author":"Zasorin","year":"1988","journal-title":"Russ J Phys Chem"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB16","doi-asserted-by":"crossref","first-page":"207","DOI":"10.1016\/S0009-2614(97)00199-1","volume":"268","author":"Kov\u00e1cs","year":"1997","journal-title":"Chem Phys Lett"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB17","doi-asserted-by":"crossref","first-page":"583","DOI":"10.1016\/S0925-8388(98)00161-3","volume":"271","author":"Konings","year":"1998","journal-title":"J All Comp"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB18","doi-asserted-by":"crossref","first-page":"6812","DOI":"10.1021\/jp980840o","volume":"102","author":"Adamo","year":"1998","journal-title":"J Phys Chem A"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB19","doi-asserted-by":"crossref","first-page":"7552","DOI":"10.1021\/jp984731l","volume":"103","author":"Hargittai","year":"1999","journal-title":"J Phys Chem A"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB20","doi-asserted-by":"crossref","first-page":"67","DOI":"10.1016\/0166-1280(91)85086-M","volume":"235","author":"Dolg","year":"1991","journal-title":"J Mol Struct (Theochem)"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB21","doi-asserted-by":"crossref","first-page":"341","DOI":"10.1016\/0009-2614(96)00381-8","volume":"255","author":"Lanza","year":"1996","journal-title":"Chem Phys Lett"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB22","doi-asserted-by":"crossref","first-page":"7058","DOI":"10.1063\/1.470333","volume":"103","author":"Cundari","year":"1995","journal-title":"J Chem Phys"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB23","doi-asserted-by":"crossref","first-page":"598","DOI":"10.1016\/0009-2614(93)85689-L","volume":"214","author":"di Bella","year":"1993","journal-title":"Chem Phys Lett"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB24","doi-asserted-by":"crossref","first-page":"1984","DOI":"10.1021\/ic970350v","volume":"378","author":"Joubert","year":"1998","journal-title":"Inorg Chem"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB25","author":"Gagliardi","unstructured":"; ; ; ; submitted for publication."},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB26","doi-asserted-by":"crossref","first-page":"4274","DOI":"10.1103\/PhysRevB.13.4274","volume":"13","author":"Gunnarson","year":"1976","journal-title":"Phys Rev B"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB27","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\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB28","doi-asserted-by":"crossref","first-page":"1040","DOI":"10.1063\/1.470829","volume":"104","author":"Becke","year":"1996","journal-title":"J Chem Phys"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB29","doi-asserted-by":"crossref","first-page":"9982","DOI":"10.1063\/1.472933","volume":"105","author":"Perdew","year":"1996","journal-title":"J Chem Phys"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB30","doi-asserted-by":"crossref","first-page":"242","DOI":"10.1016\/S0009-2614(97)00651-9","volume":"274","author":"Adamo","year":"1997","journal-title":"Chem Phys Lett"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB31","author":"Frisch","year":"1998","unstructured":"et al. Gaussian 98 (Revision A.7); Gaussian Inc.: Pittsburgh, PA, 1998."},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB32","volume-title":"Gaussian 98 User's Reference","author":"Frisch","year":"1998","unstructured":"; Gaussian 98 User's Reference; Gaussian, Inc.: Pittsburgh, PA, 1998."},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB33.1","doi-asserted-by":"crossref","first-page":"173","DOI":"10.1007\/BF00528565","volume":"75","author":"Dolg","year":"1989","journal-title":"Theor Chim Acta"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB33.2","doi-asserted-by":"crossref","first-page":"1321","DOI":"10.1080\/00268978800101811","volume":"65","author":"Igel-Mann","year":"1988","journal-title":"Mol Phys"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB33.3","unstructured":"the SDD pseudopotentials can be found at http:\/\/www.theochem.uni-stuttgart.de."},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB34","doi-asserted-by":"crossref","first-page":"5555","DOI":"10.1063\/1.464902","volume":"98","author":"Cundari","year":"1993","journal-title":"J Chem Phys"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB35","doi-asserted-by":"crossref","first-page":"2473","DOI":"10.1021\/ja951834y","volume":"118","author":"Glendening","year":"1996","journal-title":"J Am Chem Soc"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB36","doi-asserted-by":"crossref","first-page":"61","DOI":"10.1016\/S0009-2614(97)00177-2","volume":"268","author":"Adamo","year":"1997","journal-title":"Chem Phys Lett"},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB37","author":"Glendening","year":"1996","unstructured":"; ; ; ; NBO 4.0; Theoretical Chemistry institue, University of Wisconsin, Madison, WI, 1996."},{"key":"10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V-BIB38","doi-asserted-by":"crossref","first-page":"7535","DOI":"10.1063\/1.466847","volume":"100","author":"Kuchle","year":"1994","journal-title":"J Chem Phys"}],"container-title":["Journal of Computational Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2F1096-987X(200010)21:13%3C1153::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\/1096-987X(200010)21:13%3C1153::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":"2021-07-01T11:05:22Z","timestamp":1625137522000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/1096-987X(200010)21:13<1153::AID-JCC4>3.0.CO;2-V"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2000]]},"references-count":40,"journal-issue":{"issue":"13","published-print":{"date-parts":[[2000,10]]}},"URL":"https:\/\/doi.org\/10.1002\/1096-987x(200010)21:13<1153::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":[[2000]]}}}