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The calculated molecular geometry and barrier to linearization of the Si\uf8ffO\uf8ffSi bond angle are compared with previous theoretical and experimental values. Our results show that the calculated barrier to linearization is very sensitive to the number of polarization functions in the basis set. We also investigate the coupling between the Si\uf8ffO\uf8ffSi bond angle and the Si\uf8ffO bond length and calculate the Mulliken and electrostatic potential\u2010derived charges. For comparison purposes we also calculate the molecular geometry, the barrier to linearization of the Si\uf8ffO\uf8ffSi bond angle, and the atomic charges in hexamethyldisiloxane. \u00a9 1994 by John Wiley &amp; Sons, Inc.<\/jats:p>","DOI":"10.1002\/jcc.540150903","type":"journal-article","created":{"date-parts":[[2005,1,2]],"date-time":"2005-01-02T01:06:14Z","timestamp":1104627974000},"page":"925-936","source":"Crossref","is-referenced-by-count":20,"title":["Structure of disiloxane: A semiempirical and Post\u2010Hartree\u2013Fock study"],"prefix":"10.1002","volume":"15","author":[{"given":"G\u00e1bor I.","family":"Csonka","sequence":"first","affiliation":[]},{"given":"Mikl\u00f3s","family":"Erd\u00f6sy","sequence":"additional","affiliation":[]},{"given":"J\u00f3zsef","family":"R\u00e9ffy","sequence":"additional","affiliation":[]}],"member":"311","published-online":{"date-parts":[[2004,9,7]]},"reference":[{"key":"e_1_2_1_2_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja01588a018"},{"key":"e_1_2_1_3_2","doi-asserted-by":"publisher","DOI":"10.3891\/acta.chem.scand.17-2455"},{"key":"e_1_2_1_4_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.1731323"},{"key":"e_1_2_1_5_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.434348"},{"key":"e_1_2_1_6_2","doi-asserted-by":"publisher","DOI":"10.1016\/0022-2852(83)90297-7"},{"key":"e_1_2_1_7_2","doi-asserted-by":"publisher","DOI":"10.1107\/S0567740879008529"},{"key":"e_1_2_1_8_2","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(79)80297-3"},{"key":"e_1_2_1_9_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00158a031"},{"key":"e_1_2_1_10_2","doi-asserted-by":"publisher","DOI":"10.1016\/0301-0104(90)89025-L"},{"key":"e_1_2_1_11_2","doi-asserted-by":"publisher","DOI":"10.1021\/j100199a026"},{"key":"e_1_2_1_12_2","doi-asserted-by":"publisher","DOI":"10.1021\/j100131a019"},{"key":"e_1_2_1_13_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540140209"},{"key":"e_1_2_1_14_2","doi-asserted-by":"publisher","DOI":"10.1351\/pac198759121647"},{"key":"e_1_2_1_15_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.1732246"},{"key":"e_1_2_1_16_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.434348"},{"key":"e_1_2_1_17_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0022-328X(00)91519-5"},{"key":"e_1_2_1_18_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00457a004"},{"key":"e_1_2_1_19_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00299a024"},{"key":"e_1_2_1_20_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540100208"},{"key":"e_1_2_1_21_2","doi-asserted-by":"publisher","DOI":"10.1021\/om00133a029"},{"key":"e_1_2_1_22_2","doi-asserted-by":"publisher","DOI":"10.1021\/om00150a020"},{"key":"e_1_2_1_23_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.447604"},{"key":"e_1_2_1_24_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.1677527"},{"key":"e_1_2_1_24_3","doi-asserted-by":"publisher","DOI":"10.1063\/1.444267"},{"key":"e_1_2_1_25_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.1674408"},{"key":"e_1_2_1_25_3","volume-title":"Modern Theoretical Chemistry","author":"Dunning T. 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