Please use this identifier to cite or link to this item: https://olympias.lib.uoi.gr/jspui/handle/123456789/13622
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dc.contributor.authorDimakopoulos, K. D.en
dc.contributor.authorPapageorgiou, D. G.en
dc.contributor.authorDemetropoulos, I. N.en
dc.date.accessioned2015-11-24T17:31:46Z-
dc.date.available2015-11-24T17:31:46Z-
dc.identifier.issn0892-7022-
dc.identifier.urihttps://olympias.lib.uoi.gr/jspui/handle/123456789/13622-
dc.rightsDefault Licence-
dc.subjecttributyrinen
dc.subjecttriacetinen
dc.subjectconformer librariesen
dc.subjectdatabaseen
dc.titleTriglyceride reference database: large scale storage of 3D triglyceride conformers and web-based analysis toolsen
heal.typejournalArticle-
heal.type.enJournal articleen
heal.type.elΆρθρο Περιοδικούel
heal.identifier.primaryDoi 10.1080/08927020701579337-
heal.identifier.secondary<Go to ISI>://000251152900005-
heal.identifier.secondaryhttp://www.tandfonline.com/doi/pdf/10.1080/08927020701579337-
heal.languageen-
heal.accesscampus-
heal.recordProviderΠανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Μηχανικών Επιστήμης Υλικώνel
heal.publicationDate2007-
heal.abstractThe Triglyceride Reference Database (TRDB) contains conformer libraries of two triglycerides (tributyrin and triacetin) optimized at various levels of theory. The purpose of the TRDB project and its accompanying interface is to generate, store, process and retrieve triglyceride conformers; hence, it addresses problems and questions concerning geometrical properties, or relative conformer energies, that are of importance (among other uses) to force field evaluations.en
heal.publisherTaylor & Francisen
heal.journalNameMolecular Simulationen
heal.journalTypepeer reviewed-
heal.fullTextAvailabilityTRUE-
Appears in Collections:Άρθρα σε επιστημονικά περιοδικά ( Ανοικτά)

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