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Conformational data from these calculations (simulation times in the range from 6\u201315 ns) was compared with information from the Cambridge Structural Database. Despite the differences in condition between the simulations and the solid state, a number of interesting similarities are observed. \u00a9 1993 John Wiley &amp; Sons, Inc.<\/jats:p>","DOI":"10.1002\/jcc.540140804","type":"journal-article","created":{"date-parts":[[2005,1,2]],"date-time":"2005-01-02T01:02:31Z","timestamp":1104627751000},"page":"899-906","source":"Crossref","is-referenced-by-count":18,"title":["Molecular dynamics of 18\u2010crown\u20106 complexes with alkali\u2013metal cations and urea: Prediction of their conformations and comparison with data from the cambridge structural database"],"prefix":"10.1002","volume":"14","author":[{"given":"E.T.H.","family":"Leuwerink","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"S.","family":"Harkema","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"W.J.","family":"Briels","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"D.","family":"Feil","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2004,9,7]]},"reference":[{"key":"e_1_2_1_2_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00986a052"},{"key":"e_1_2_1_3_2","doi-asserted-by":"publisher","DOI":"10.1021\/j100329a004"},{"key":"e_1_2_1_4_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.456896"},{"key":"e_1_2_1_5_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540130105"},{"key":"e_1_2_1_6_2","doi-asserted-by":"publisher","DOI":"10.1021\/ar00089a001"},{"key":"e_1_2_1_7_2","volume-title":"Groningen Molecular Simulation Library","author":"van Gunsteren W.F.","year":"1987"},{"key":"e_1_2_1_8_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540070216"},{"key":"e_1_2_1_9_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00376a001"},{"key":"e_1_2_1_10_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00824a004"},{"key":"e_1_2_1_11_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.462560"},{"key":"e_1_2_1_12_2","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9991(77)90098-5"},{"key":"e_1_2_1_13_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00183a009"},{"key":"e_1_2_1_14_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00167a044"},{"key":"e_1_2_1_15_2","doi-asserted-by":"crossref","first-page":"39","DOI":"10.1016\/S0020-1693(00)89280-4","volume":"115","author":"Drew M.G.B.","year":"1989","journal-title":"Inorg. 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