{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,12,24]],"date-time":"2025-12-24T12:24:45Z","timestamp":1766579085413,"version":"3.32.0"},"reference-count":33,"publisher":"Wiley","issue":"8","license":[{"start":{"date-parts":[[2015,9,1]],"date-time":"2015-09-01T00:00:00Z","timestamp":1441065600000},"content-version":"tdm","delay-in-days":5936,"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":[[1999,6]]},"DOI":"10.1002\/(sici)1096-987x(199906)20:8<781::aid-jcc4>3.0.co;2-t","type":"journal-article","created":{"date-parts":[[2004,11,14]],"date-time":"2004-11-14T19:09:22Z","timestamp":1100459362000},"page":"781-785","source":"Crossref","is-referenced-by-count":31,"title":["Computation of cavity shapes, sizes, and plasticities"],"prefix":"10.1002","volume":"20","author":[{"given":"Peter","family":"Comba","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Norbert","family":"Okon","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Rainer","family":"Remenyi","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","reference":[{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB1","doi-asserted-by":"crossref","first-page":"2985","DOI":"10.1002\/cber.18940270364","volume":"27","author":"Fischer","year":"1984","journal-title":"Chem Ber"},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB2","doi-asserted-by":"crossref","first-page":"110","DOI":"10.1021\/j150512a005","volume":"58","author":"Lumry","year":"1954","journal-title":"J Phys Chem"},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB3","doi-asserted-by":"crossref","first-page":"498","DOI":"10.1073\/pnas.59.2.498","volume":"59","author":"Vallee","year":"1968","journal-title":"Proc Natl Acad Sci USA"},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB4","doi-asserted-by":"crossref","first-page":"1593","DOI":"10.1016\/S0021-9258(18)97476-4","volume":"240","author":"Yankeelov","year":"1965","journal-title":"J Biol Chem"},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB5","doi-asserted-by":"crossref","first-page":"145","DOI":"10.1021\/ar50089a001","volume":"8","author":"Cleland","year":"1975","journal-title":"Acc Chem Res"},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB6","doi-asserted-by":"crossref","DOI":"10.1007\/978-3-322-91893-2","volume-title":"Bioanorganische Chemie","author":"Kaim","year":"1995","unstructured":"; Bioanorganische Chemie; Teuber: Stuttgart, 1995."},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB7","volume-title":"Computer-Aided Molecular Design: Theory and Applications","author":"Doucet","year":"1996","unstructured":"; Computer-Aided Molecular Design: Theory and Applications; Academic: London, 1996."},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB8","first-page":"948","volume":"99","author":"Cram","year":"1979","journal-title":"J Am Chem Soc"},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB9","doi-asserted-by":"crossref","first-page":"3657","DOI":"10.1021\/ja00298a041","volume":"107","author":"Cram","year":"1985","journal-title":"J Am Chem Soc"},{"author":"Comba","key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB10","unstructured":"Coord Chem Rev. In press."},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB11","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1002\/9780470166345.ch1","volume":"33","author":"Henrick","year":"1985","journal-title":"Progr Inorg Chem"},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB12","doi-asserted-by":"crossref","first-page":"253","DOI":"10.1021\/ar00176a003","volume":"23","author":"Hancock","year":"1990","journal-title":"Acc Chem Res"},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB13","doi-asserted-by":"crossref","first-page":"3923","DOI":"10.1021\/ic00141a014","volume":"21","author":"Drummond","year":"1982","journal-title":"Inorg Chem"},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB14","doi-asserted-by":"crossref","first-page":"1641","DOI":"10.1021\/ja00318a016","volume":"106","author":"Henrick","year":"1984","journal-title":"J Am Chem Soc"},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB15","first-page":"53","volume":"33","author":"Lindoy","year":"1986","journal-title":"Progr Macrocycl Chem (Izatt Ed)"},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB16","volume-title":"Molecular Modeling of Inorganic Compounds","author":"Comba","year":"1995","unstructured":"; Molecular Modeling of Inorganic Compounds; VCH: Weinheim, 1995."},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB17","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/0010-8545(93)85051-5","volume":"123","author":"Comba","year":"1993","journal-title":"Coord Chem Rev."},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB18","doi-asserted-by":"crossref","first-page":"392","DOI":"10.1021\/ar50130a005","volume":"11","author":"Busch","year":"1978","journal-title":"Acc Chem Res"},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB19","first-page":"2505","author":"Drew","year":"1986","journal-title":"J Chem Soc Dalton Trans"},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB20","doi-asserted-by":"crossref","first-page":"2505","DOI":"10.1039\/dt9860002505","author":"Hancock","year":"1986","journal-title":"J Chem Soc Dalton Trans"},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB21","doi-asserted-by":"crossref","first-page":"426","DOI":"10.1021\/ic00302a012","volume":"28","author":"Comba","year":"1989","journal-title":"Inorg Chem"},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB22","doi-asserted-by":"crossref","first-page":"2638","DOI":"10.1021\/ic00038a060","volume":"31","author":"Bernhardt","year":"1992","journal-title":"Inorg Chem"},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB23","doi-asserted-by":"crossref","first-page":"347","DOI":"10.1039\/a603635j","author":"Comba","year":"1997","journal-title":"J Chem Soc Dalton Trans"},{"year":"1997","author":"Comba","key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB24","unstructured":"; ; ; Momec, A Molecular Modeling Package for Inorganic Compounds; CVS: Heidelberg, 1997. E-mail:cvs@t-online.de."},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB25","doi-asserted-by":"crossref","first-page":"512","DOI":"10.1002\/(SICI)1096-987X(19980415)19:5<512::AID-JCC4>3.0.CO;2-P","volume":"19","author":"Bol","year":"1998","journal-title":"J Comput Chem"},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB26","doi-asserted-by":"crossref","first-page":"2042","DOI":"10.1002\/hlca.19950780812","volume":"78","author":"Comba","year":"1995","journal-title":"Helv Chim Acta"},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB27","doi-asserted-by":"crossref","first-page":"2574","DOI":"10.1063\/1.1670456","volume":"49","author":"Boyd","year":"1968","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB28","volume-title":"Practical Methods of Optimization","author":"Fletcher","year":"1997","unstructured":"Practical Methods of Optimization; Wiley: New York, 1997."},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB29","doi-asserted-by":"crossref","first-page":"473","DOI":"10.1016\/0022-2860(73)80114-0","volume":"16","author":"Thomas","year":"1973","journal-title":"J Mol Struct"},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB30","doi-asserted-by":"crossref","first-page":"327","DOI":"10.1002\/recl.19800991008","volume":"99","author":"van de Graaf","year":"1980","journal-title":"Recl Trav Chim Pays-Bas"},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB31","doi-asserted-by":"crossref","first-page":"8426","DOI":"10.1021\/ja00779a023","author":"Wiberg","year":"1972","journal-title":"J Am Chem Soc"},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB32","doi-asserted-by":"crossref","first-page":"45","DOI":"10.1071\/CH9810045","volume":"34","author":"Hambley","year":"1981","journal-title":"Austral J Chem"},{"key":"10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T-BIB33","doi-asserted-by":"crossref","first-page":"4500","DOI":"10.1021\/ic9701625","volume":"36","author":"Comba","year":"1997","journal-title":"Inorg Chem"}],"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(199906)20:8%3C781::AID-JCC4%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(199906)20:8%3C781::AID-JCC4%3E3.0.CO;2-T","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,12,20]],"date-time":"2024-12-20T01:48:39Z","timestamp":1734659319000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/(SICI)1096-987X(199906)20:8<781::AID-JCC4>3.0.CO;2-T"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1999,6]]},"references-count":33,"journal-issue":{"issue":"8","published-print":{"date-parts":[[1999,6]]}},"URL":"https:\/\/doi.org\/10.1002\/(sici)1096-987x(199906)20:8<781::aid-jcc4>3.0.co;2-t","relation":{},"ISSN":["0192-8651","1096-987X"],"issn-type":[{"type":"print","value":"0192-8651"},{"type":"electronic","value":"1096-987X"}],"subject":[],"published":{"date-parts":[[1999,6]]}}}