Please use this identifier to cite or link to this item: http://hdl.handle.net/1942/3793
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dc.contributor.authorSLANINA, Z-
dc.contributor.authorMARTIN, Jan-
dc.contributor.authorFRANCOIS, Jean-Pierre-
dc.contributor.authorGIJBELS, R-
dc.date.accessioned2007-11-29T13:39:52Z-
dc.date.available2007-11-29T13:39:52Z-
dc.date.issued1993-
dc.identifier.citationCHEMICAL PHYSICS LETTERS, 201(1-4). p. 54-58-
dc.identifier.issn0009-2614-
dc.identifier.urihttp://hdl.handle.net/1942/3793-
dc.description.abstractThe structure, energetics and harmonic vibrations of B3N have been computed at a correlated ab initio level. The lowest potential energy structure found exhibits a linear BBNB arrangement, being followed by a D3h structure separated by about 60 kJ/mol. C2v and linear BBBN configurations are still higher in energy so that they are located above triplet minimum-energy structures. The predicted IR lines only partly match the available observed matrix data.-
dc.language.isoen-
dc.publisherELSEVIER SCIENCE BV-
dc.rights1993 Published by Elsevier B.V.-
dc.titleTHE STRUCTURE, ENERGETICS AND HARMONIC VIBRATIONS OF B3N-
dc.typeJournal Contribution-
dc.identifier.epage58-
dc.identifier.issue1-4-
dc.identifier.spage54-
dc.identifier.volume201-
local.format.pages5-
local.bibliographicCitation.jcatA1-
dc.description.notesUNIV INSTELLING ANTWERP,INST MAT SCI,B-2610 WILRIJK,BELGIUM.SLANINA, Z, LIMBURGS UNIV CENTRUM,DEPT SBG,UNIV CAMPUS,B-3610 DIEPENBEEK,BELGIUM.-
local.publisher.placePO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS-
local.type.refereedRefereed-
local.type.specifiedArticle-
dc.bibliographicCitation.oldjcatA1-
dc.identifier.doi10.1016/0009-2614(93)85033-K-
dc.identifier.isiA1993KF37900010-
dc.identifier.eissn-
local.provider.typeCrossRef-
local.uhasselt.uhpubyes-
item.fullcitationSLANINA, Z; MARTIN, Jan; FRANCOIS, Jean-Pierre & GIJBELS, R (1993) THE STRUCTURE, ENERGETICS AND HARMONIC VIBRATIONS OF B3N. In: CHEMICAL PHYSICS LETTERS, 201(1-4). p. 54-58.-
item.accessRightsClosed Access-
item.contributorSLANINA, Z-
item.contributorMARTIN, Jan-
item.contributorFRANCOIS, Jean-Pierre-
item.contributorGIJBELS, R-
item.fulltextNo Fulltext-
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