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http://hdl.handle.net/1942/3793
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DC Field | Value | Language |
---|---|---|
dc.contributor.author | SLANINA, Z | - |
dc.contributor.author | MARTIN, Jan | - |
dc.contributor.author | FRANCOIS, Jean-Pierre | - |
dc.contributor.author | GIJBELS, R | - |
dc.date.accessioned | 2007-11-29T13:39:52Z | - |
dc.date.available | 2007-11-29T13:39:52Z | - |
dc.date.issued | 1993 | - |
dc.identifier.citation | CHEMICAL PHYSICS LETTERS, 201(1-4). p. 54-58 | - |
dc.identifier.issn | 0009-2614 | - |
dc.identifier.uri | http://hdl.handle.net/1942/3793 | - |
dc.description.abstract | The 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.iso | en | - |
dc.publisher | ELSEVIER SCIENCE BV | - |
dc.rights | 1993 Published by Elsevier B.V. | - |
dc.title | THE STRUCTURE, ENERGETICS AND HARMONIC VIBRATIONS OF B3N | - |
dc.type | Journal Contribution | - |
dc.identifier.epage | 58 | - |
dc.identifier.issue | 1-4 | - |
dc.identifier.spage | 54 | - |
dc.identifier.volume | 201 | - |
local.format.pages | 5 | - |
local.bibliographicCitation.jcat | A1 | - |
dc.description.notes | UNIV INSTELLING ANTWERP,INST MAT SCI,B-2610 WILRIJK,BELGIUM.SLANINA, Z, LIMBURGS UNIV CENTRUM,DEPT SBG,UNIV CAMPUS,B-3610 DIEPENBEEK,BELGIUM. | - |
local.publisher.place | PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS | - |
local.type.refereed | Refereed | - |
local.type.specified | Article | - |
dc.bibliographicCitation.oldjcat | A1 | - |
dc.identifier.doi | 10.1016/0009-2614(93)85033-K | - |
dc.identifier.isi | A1993KF37900010 | - |
dc.identifier.eissn | - | |
local.provider.type | CrossRef | - |
local.uhasselt.uhpub | yes | - |
item.fullcitation | SLANINA, 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.accessRights | Closed Access | - |
item.contributor | SLANINA, Z | - |
item.contributor | MARTIN, Jan | - |
item.contributor | FRANCOIS, Jean-Pierre | - |
item.contributor | GIJBELS, R | - |
item.fulltext | No Fulltext | - |
Appears in Collections: | Research publications |
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