Please use this identifier to cite or link to this item:
http://hdl.handle.net/1942/5222
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | MARTIN, Jan | - |
dc.date.accessioned | 2007-12-20T15:56:45Z | - |
dc.date.available | 2007-12-20T15:56:45Z | - |
dc.date.issued | 1996 | - |
dc.identifier.citation | Chemical physics letters, 259(5-6). p. 679-682 | - |
dc.identifier.uri | http://hdl.handle.net/1942/5222 | - |
dc.description.abstract | Abstract An exhaustive ab initio convergence study, using coupled cluster methods and basis sets of up to [7s6p5d4f3g2h/5s4p3d2f1g] quality, of the total atomization energy of HCN(g), both directly and via the isogyric reaction 2 HCN → C2H2 + N2, leads to a best estimate of Σ D0=303.08±0.25 kcal/mol, in between thermochemical and spectroscopic experimental values. The best estimate for Δf0 = 31.04±0.25 kcal/mol, or 129.9±1 kJ/mol. | - |
dc.language.iso | en | - |
dc.title | The total atomization energy and heat of formation of HCN(g) | - |
dc.type | Journal Contribution | - |
dc.identifier.epage | 682 | - |
dc.identifier.issue | 5-6 | - |
dc.identifier.spage | 679 | - |
dc.identifier.volume | 259 | - |
dc.bibliographicCitation.oldjcat | - | |
dc.identifier.doi | 10.1016/0009-2614(96)00899-8 | - |
item.fullcitation | MARTIN, Jan (1996) The total atomization energy and heat of formation of HCN(g). In: Chemical physics letters, 259(5-6). p. 679-682. | - |
item.accessRights | Closed Access | - |
item.contributor | MARTIN, Jan | - |
item.fulltext | No Fulltext | - |
Appears in Collections: | Research publications |
SCOPUSTM
Citations
35
checked on Sep 5, 2020
WEB OF SCIENCETM
Citations
43
checked on Apr 16, 2024
Page view(s)
96
checked on Nov 7, 2023
Google ScholarTM
Check
Altmetric
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.