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http://hdl.handle.net/1942/3936
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DC Field | Value | Language |
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dc.contributor.author | MARTIN, Jan | - |
dc.contributor.author | FRANCOIS, Jean-Pierre | - |
dc.contributor.author | GIJBELS, R | - |
dc.date.accessioned | 2007-11-30T07:59:47Z | - |
dc.date.available | 2007-11-30T07:59:47Z | - |
dc.date.issued | 1991 | - |
dc.identifier.citation | JOURNAL OF CHEMICAL PHYSICS, 95(12). p. 9420-9421 | - |
dc.identifier.issn | 0021-9606 | - |
dc.identifier.uri | http://hdl.handle.net/1942/3936 | - |
dc.description.abstract | The heat of formation of C5 has been computed ab initio using a variation on G1 theory. The computed H = 251.7 ± 4 kcal/mol disagrees quite appreciably with the third-law measurements of Drowart et al.; however, the cause of this is shown to be in the use of very approximate free energy functions by these authors. Using better free energy functions leads to a revised experimental value of 253.3±5.8 kcal/mol, in excellent agreement with our ab initio value. A revision of previous estimates for C6 to C10 by Raghavachari and Binkley is presented. | - |
dc.language.iso | en | - |
dc.publisher | AMER INST PHYSICS | - |
dc.title | On the heat of formation of C5 and higher carbon clusters | - |
dc.type | Journal Contribution | - |
dc.identifier.epage | 9421 | - |
dc.identifier.issue | 12 | - |
dc.identifier.spage | 9420 | - |
dc.identifier.volume | 95 | - |
local.format.pages | 2 | - |
dc.description.notes | UNIV INSTELLING ANTWERP,INST MAT SCI,DEPT CHEM,B-2610 WILRIJK,BELGIUM.MARTIN, JML, LIMBURGS UNIV CENTRUM,DEPT SBM,UNIV CAMPUS,B-3590 DIEPENBEEK,BELGIUM. | - |
local.type.refereed | Refereed | - |
local.type.specified | Note | - |
dc.bibliographicCitation.oldjcat | A1 | - |
dc.identifier.doi | 10.1063/1.461173 | - |
dc.identifier.isi | A1991GV82500076 | - |
item.fullcitation | MARTIN, Jan; FRANCOIS, Jean-Pierre & GIJBELS, R (1991) On the heat of formation of C5 and higher carbon clusters. In: JOURNAL OF CHEMICAL PHYSICS, 95(12). p. 9420-9421. | - |
item.fulltext | No Fulltext | - |
item.contributor | MARTIN, Jan | - |
item.contributor | FRANCOIS, Jean-Pierre | - |
item.contributor | GIJBELS, R | - |
item.accessRights | Closed Access | - |
Appears in Collections: | Research publications |
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