{"entities":{"Q716796":{"pageid":718645,"ns":120,"title":"Item:Q716796","lastrevid":77667104,"modified":"2026-05-06T09:47:25Z","type":"item","id":"Q716796","labels":{"en":{"language":"en","value":"Electronic structure and driving forces in \\(\\alpha \\)-cyclodextrin:butylparaben inclusion complexes"}},"descriptions":{"en":{"language":"en","value":"scientific article; zbMATH DE number 5950816"}},"aliases":{},"claims":{"P31":[{"mainsnak":{"snaktype":"value","property":"P31","hash":"fd5912e4dab4b881a8eb0eb27e7893fef55176ad","datavalue":{"value":{"entity-type":"item","numeric-id":56887,"id":"Q56887"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q716796$5D48B93A-D4F7-4E8B-BDB6-2CF3F6A1DDD1","rank":"normal"}],"P159":[{"mainsnak":{"snaktype":"value","property":"P159","hash":"12f7e7d402872913640a9c5b35f0c4f6e8767458","datavalue":{"value":{"text":"Electronic structure and driving forces in \\(\\alpha \\)-cyclodextrin:butylparaben inclusion complexes","language":"en"},"type":"monolingualtext"},"datatype":"monolingualtext"},"type":"statement","id":"Q716796$388A8059-A39D-4DB7-A36B-0A00730431EC","rank":"normal"}],"P225":[{"mainsnak":{"snaktype":"value","property":"P225","hash":"81675d84b846787fb8028bc55d3390b4c1899b0e","datavalue":{"value":"1221.81211","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q716796$BF9A8755-E795-4996-A101-BF6090AEB188","rank":"normal"}],"P16":[{"mainsnak":{"snaktype":"value","property":"P16","hash":"970609e49ab2d4d78af31f97be92aa80c7a9c04c","datavalue":{"value":{"entity-type":"item","numeric-id":716795,"id":"Q716795"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q716796$04914E63-718D-4D10-B303-A75F40AF9230","rank":"normal"}],"P200":[{"mainsnak":{"snaktype":"value","property":"P200","hash":"4cca31625b92d80a1cc304cb8fbfda8b1f501f2a","datavalue":{"value":{"entity-type":"item","numeric-id":173399,"id":"Q173399"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q716796$BB5A5458-55E2-4EA4-8E85-23147FCFA8D3","rank":"normal"}],"P28":[{"mainsnak":{"snaktype":"value","property":"P28","hash":"23abbc7df50e9b56d73974fbfb185282140729b3","datavalue":{"value":{"time":"+2011-09-27T00:00:00Z","timezone":0,"before":0,"after":0,"precision":11,"calendarmodel":"http://www.wikidata.org/entity/Q1985727"},"type":"time"},"datatype":"time"},"type":"statement","id":"Q716796$298A5879-4750-45DB-818D-E73C58EDDFBA","rank":"normal"}],"P226":[{"mainsnak":{"snaktype":"value","property":"P226","hash":"4813816b754d3f100991ebef2943a6e75f1aeb2b","datavalue":{"value":"81V55","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q716796$818771CA-566F-4A3D-BDF3-791F1891F912","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P226","hash":"774697a3867751b8e74ae4a43979d7c7f1a3723c","datavalue":{"value":"81Q05","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q716796$2DDEAC60-8444-4215-9425-A9D47A85FC8A","rank":"normal"}],"P1451":[{"mainsnak":{"snaktype":"value","property":"P1451","hash":"2ad674188288db4786792936bc9160703b9e3e01","datavalue":{"value":"5950816","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q716796$B60B28E9-FF99-4585-A6B2-671A60FCD1F6","rank":"normal"}],"P1450":[{"mainsnak":{"snaktype":"value","property":"P1450","hash":"3e839e0f3cde1918760527b444dfe2aeb302999a","datavalue":{"value":"\\(\\alpha \\)-cyclodextrin","type":"string"},"datatype":"string"},"type":"statement","id":"Q716796$CB8FABEA-CAD2-4DD2-9D54-B534C1AF4AA1","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1450","hash":"f34ed309decc4033b7eef27a11f02016e34a46c6","datavalue":{"value":"butylparaben","type":"string"},"datatype":"string"},"type":"statement","id":"Q716796$D3B4EFAF-0778-4475-9C82-76ABEBE39158","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1450","hash":"844da2804cb38cdd6dd74de82916279d594730af","datavalue":{"value":"DFT","type":"string"},"datatype":"string"},"type":"statement","id":"Q716796$F6FCA80F-56F0-4E11-BB1B-B764F463E1B6","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1450","hash":"3db8496df8e37881e9c61eeaac61d3bc411fdf2e","datavalue":{"value":"molecular dynamics","type":"string"},"datatype":"string"},"type":"statement","id":"Q716796$8F949398-ED7F-4F7D-B0AA-EBC7088D502D","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1450","hash":"ab91dbc8e3972c4b82000b8af177323fd5c2fd33","datavalue":{"value":"electronic structure","type":"string"},"datatype":"string"},"type":"statement","id":"Q716796$7890D49C-B397-4D62-9AC2-2DEF4A0C3AED","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1450","hash":"c535ff8fe3d2d7630e5fc6c36c716e32b66fbae8","datavalue":{"value":"Morokuma-Kitaura energy decomposition","type":"string"},"datatype":"string"},"type":"statement","id":"Q716796$71071F62-F14D-4F1A-89D2-3C75457914E5","rank":"normal"}],"P1463":[{"mainsnak":{"snaktype":"value","property":"P1463","hash":"6ae4f3202b7e5c2340e07055f4161c1cb9ac1a67","datavalue":{"value":{"entity-type":"item","numeric-id":18252,"id":"Q18252"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q716796$98A88354-9222-4F90-B88D-CB8E00DEF2AE","rank":"normal"}],"P1460":[{"mainsnak":{"snaktype":"value","property":"P1460","hash":"57f7fea50d2ce1b39b695c4a1313582eed405e38","datavalue":{"value":{"entity-type":"item","numeric-id":5976449,"id":"Q5976449"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q716796$58A88BA9-B85E-42BC-9C04-7587F2EE1ED6","rank":"normal"}],"P205":[{"mainsnak":{"snaktype":"value","property":"P205","hash":"dcc8864ff0832baf921ba22bffe8f4ba10916dcf","datavalue":{"value":"https://doi.org/10.1016/j.physleta.2008.03.046","type":"string"},"datatype":"url"},"type":"statement","id":"Q716796$00FE04E1-2A70-4F60-BE82-8C841C698E9A","rank":"normal"}],"P388":[{"mainsnak":{"snaktype":"value","property":"P388","hash":"6a7be55fd44fc0e6a588f7fe4eaed8526b84a390","datavalue":{"value":"W1991631326","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q716796$E700BFE8-3C33-42CF-9F21-54960A3E57A6","rank":"normal"}],"P27":[{"mainsnak":{"snaktype":"value","property":"P27","hash":"7dc914269da1ad59fed6ecd70684acbddaa10ed6","datavalue":{"value":"10.1016/J.PHYSLETA.2008.03.046","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q716796$F5582D67-1371-4F26-A968-A1F3F0557914","rank":"normal"}],"P1643":[{"mainsnak":{"snaktype":"value","property":"P1643","hash":"eb4ce661d017e431ffcf9de75895762148adf652","datavalue":{"value":{"entity-type":"item","numeric-id":637152,"id":"Q637152"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"7c0f490970c79f84efe7e3b51359e3623c93352f","datavalue":{"value":{"amount":"+0.6469916105270386","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"a327a09ea0305e98d5cf33bd4036320e19f2aed0","datavalue":{"value":{"entity-type":"item","numeric-id":6821328,"id":"Q6821328"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q716796$D2A5CEF3-E916-4C90-9077-79FF4CFE0BB2","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1643","hash":"37ad5ed0e4d1f9a11fa1457fcdb6ca2023e91108","datavalue":{"value":{"entity-type":"item","numeric-id":3560663,"id":"Q3560663"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"17e14f613732b43e71262818a221fa7325d0ce46","datavalue":{"value":{"amount":"+0.6297411322593689","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"a327a09ea0305e98d5cf33bd4036320e19f2aed0","datavalue":{"value":{"entity-type":"item","numeric-id":6821328,"id":"Q6821328"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q716796$39A152A9-0CAA-42E2-ACF1-76837265F243","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1643","hash":"6595a0fae6011c45f7058964085cb21a05dd74c2","datavalue":{"value":{"entity-type":"item","numeric-id":4258526,"id":"Q4258526"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"70c96968b7ebab487b8f260ec4ecb342f8352446","datavalue":{"value":{"amount":"+0.6124247908592224","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"a327a09ea0305e98d5cf33bd4036320e19f2aed0","datavalue":{"value":{"entity-type":"item","numeric-id":6821328,"id":"Q6821328"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q716796$DC962DD0-65B6-4AD8-AA78-40F6EFF630D6","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1643","hash":"775e380f965930892dd702be82671881cf6a8f9f","datavalue":{"value":{"entity-type":"item","numeric-id":5054442,"id":"Q5054442"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"29227b8ee4b60aa5eb2f15af338efcc1b7d7b4bd","datavalue":{"value":{"amount":"+0.6084129214286804","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"a327a09ea0305e98d5cf33bd4036320e19f2aed0","datavalue":{"value":{"entity-type":"item","numeric-id":6821328,"id":"Q6821328"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q716796$4F984A47-3FD2-4ECE-9FBB-7772AA891254","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P1643","hash":"263da18d611d9b7dcd0cc2bc623c983c0f8522b9","datavalue":{"value":{"entity-type":"item","numeric-id":4739454,"id":"Q4739454"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","qualifiers":{"P1659":[{"snaktype":"value","property":"P1659","hash":"00f8b7adc885d3afdc70cdbef3cfad0e962ed357","datavalue":{"value":{"amount":"+0.6060325503349304","unit":"1"},"type":"quantity"},"datatype":"quantity"}],"P1660":[{"snaktype":"value","property":"P1660","hash":"a327a09ea0305e98d5cf33bd4036320e19f2aed0","datavalue":{"value":{"entity-type":"item","numeric-id":6821328,"id":"Q6821328"},"type":"wikibase-entityid"},"datatype":"wikibase-item"}]},"qualifiers-order":["P1659","P1660"],"id":"Q716796$A8CE1D5E-9423-41DE-BB37-03EF5114DAB0","rank":"normal"}]},"sitelinks":{"mardi":{"site":"mardi","title":"Electronic structure and driving forces in \\(\\alpha \\)-cyclodextrin:butylparaben inclusion complexes","badges":[],"url":"https://portal.mardi4nfdi.de/wiki/Electronic_structure_and_driving_forces_in_%5C(%5Calpha_%5C)-cyclodextrin:butylparaben_inclusion_complexes"}}}}}