{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2024,8,9]],"date-time":"2024-08-09T14:10:15Z","timestamp":1723212615308},"reference-count":0,"publisher":"Wiley","issue":"1-4","license":[{"start":{"date-parts":[[2000,1,1]],"date-time":"2000-01-01T00:00:00Z","timestamp":946684800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/3.0\/"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["VLSI Design"],"published-print":{"date-parts":[[2001,1]]},"abstract":"Total energy calculations based on a density\u2010functional tight\u2010binding scheme have been\nperformed on polymorphic modifications of various thiophene crystals. The investigated\nstructures include sulphanyl\u2010substituted quater\u2010thiophene and methyl\u2010substituted\nsexithiophene, in the monoclinic and triclinic modifications. Attention has been focused\non the intermolecular interaction between the molecular units. Despite the similarities in\nthe backbone geometries, the strength and nature of intermolecular interaction differs\nlargely in the various polymorphs. Sulphur atoms belonging to the thiophene rings are\nstrongly involved in the interaction. Sulphanyl substituents play an important role,\nwhile methyl groups do not contribute. The strength of intermolecular interaction is not\na direct function of atom distance.<\/jats:p>","DOI":"10.1155\/2001\/93289","type":"journal-article","created":{"date-parts":[[2007,9,18]],"date-time":"2007-09-18T13:00:57Z","timestamp":1190120457000},"page":"393-397","update-policy":"http:\/\/dx.doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Density\u2010functional Based Tight\u2010bindingCalculations on Thiophene Polymorphism"],"prefix":"10.1155","volume":"13","author":[{"given":"J.","family":"Widany","sequence":"first","affiliation":[]},{"given":"G.","family":"Daminelli","sequence":"additional","affiliation":[]},{"given":"A.","family":"Di Carlo","sequence":"additional","affiliation":[]},{"given":"P.","family":"Lugli","sequence":"additional","affiliation":[]}],"member":"311","published-online":{"date-parts":[[2001,1]]},"container-title":["VLSI Design"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/downloads.hindawi.com\/archive\/2001\/093289.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1155\/2001\/93289","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,8,9]],"date-time":"2024-08-09T13:34:17Z","timestamp":1723210457000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1155\/2001\/93289"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2001,1]]},"references-count":0,"journal-issue":{"issue":"1-4","published-print":{"date-parts":[[2001,1]]}},"alternative-id":["10.1155\/2001\/93289"],"URL":"https:\/\/doi.org\/10.1155\/2001\/93289","archive":["Portico"],"relation":{},"ISSN":["1065-514X","1563-5171"],"issn-type":[{"type":"print","value":"1065-514X"},{"type":"electronic","value":"1563-5171"}],"subject":[],"published":{"date-parts":[[2001,1]]},"assertion":[{"value":"2001-01-01","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}