Please use this identifier to cite or link to this item:
http://hdl.handle.net/1942/5222| Title: | The total atomization energy and heat of formation of HCN(g) | Authors: | MARTIN, Jan | Issue Date: | 1996 | Source: | Chemical physics letters, 259(5-6). p. 679-682 | 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. | Document URI: | http://hdl.handle.net/1942/5222 | DOI: | 10.1016/0009-2614(96)00899-8 | Type: | Journal Contribution |
| Appears in Collections: | Research publications |
Show full item record
SCOPUSTM
Citations
35
checked on Sep 5, 2020
WEB OF SCIENCETM
Citations
41
checked on May 14, 2022
Page view(s)
70
checked on May 20, 2022
Google ScholarTM
Check
Altmetric
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.