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DFT calculations enabled the complete characterization of the geometry of these complex systems and also explained the origin of the disorder. The stability of the capsules was strongly influenced by the entrapped cations. Excellent agreement between experiment and theory was also obtained for the electronic character and redox properties.<\/jats:p>","DOI":"10.1002\/chem.201200801","type":"journal-article","created":{"date-parts":[[2012,6,22]],"date-time":"2012-06-22T14:25:58Z","timestamp":1340375158000},"page":"8340-8346","source":"Crossref","is-referenced-by-count":40,"title":["A Journey inside the U<sub>28<\/sub> Nanocapsule"],"prefix":"10.1002","volume":"18","author":[{"given":"Adri\u00e0","family":"Gil","sequence":"first","affiliation":[]},{"given":"David","family":"Karh\u00e1nek","sequence":"additional","affiliation":[]},{"given":"Pere","family":"Mir\u00f3","sequence":"additional","affiliation":[]},{"given":"Mark R.","family":"Antonio","sequence":"additional","affiliation":[]},{"given":"May","family":"Nyman","sequence":"additional","affiliation":[]},{"given":"Carles","family":"Bo","sequence":"additional","affiliation":[]}],"member":"311","published-online":{"date-parts":[[2012,5,23]]},"reference":[{"key":"e_1_2_6_1_2","doi-asserted-by":"publisher","DOI":"10.1002\/ange.200805870"},{"key":"e_1_2_6_1_3","doi-asserted-by":"publisher","DOI":"10.1002\/anie.200805870"},{"key":"e_1_2_6_2_2","doi-asserted-by":"publisher","DOI":"10.1002\/ange.200462445"},{"key":"e_1_2_6_2_3","doi-asserted-by":"publisher","DOI":"10.1002\/anie.200462445"},{"key":"e_1_2_6_3_2","unstructured":"\u00a0"},{"key":"e_1_2_6_4_2","doi-asserted-by":"publisher","DOI":"10.1002\/ange.200704420"},{"key":"e_1_2_6_4_3","doi-asserted-by":"publisher","DOI":"10.1002\/anie.200704420"},{"key":"e_1_2_6_5_2","doi-asserted-by":"publisher","DOI":"10.1021\/ic2014946"},{"key":"e_1_2_6_6_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja104964x"},{"key":"e_1_2_6_7_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja1053175"},{"key":"e_1_2_6_8_2","doi-asserted-by":"publisher","DOI":"10.1002\/ejic.201001355"},{"key":"e_1_2_6_9_2","unstructured":"\u00a0"},{"key":"e_1_2_6_10_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.jssc.2004.05.011"},{"key":"e_1_2_6_11_2","doi-asserted-by":"publisher","DOI":"10.1002\/ejic.200500428"},{"key":"e_1_2_6_12_2","unstructured":"Further details of the crystal structure investigations can be obtained from the Fachinformationszentrum Karlsruhe 76344 Eggenstein\u2010Leopoldshafen Germany (fax: (+49)\u20097247\u2010808\u2010666; e\u2010mail: crysdata@fiz\u2010karlsruhe.de http:\/\/www.fiz\u2010karlsruhe.de\/request_for_ deposited_data.html) on quoting the depository number CSD\u2010423772 (Na6K9[Ta(O2)4Cs4Na12{(UO2)(O2)1.5}28]\u22c56\u2009H2O) and CSD\u2010423773 (K7.5Na7.5[Nb(O2)4Na12Rb4{(UO2)(O2)1.5}28]\u22c512\u2009H2O)."},{"key":"e_1_2_6_13_2","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-010-0820-9"},{"key":"e_1_2_6_14_2","doi-asserted-by":"crossref","first-page":"217","DOI":"10.1016\/S0022-0728(74)80363-3","volume":"52","author":"Zutic V.","year":"1974","journal-title":"J. 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