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Enthalpy of the Gas-Phase CO2 + Mg Reaction from ab Initio Total Energies

✍ Scribed by Lesar, A.; Prebil, S.; Hodoscek, M.

Book ID
126088242
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
45 KB
Volume
42
Category
Article
ISSN
0095-2338

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✍ Yana Steudel; Ralf Steudel; MingΒ Wah Wong; Dieter Lentz πŸ“‚ Article πŸ“… 2001 πŸ› John Wiley and Sons 🌐 English βš– 123 KB πŸ‘ 2 views

High level ab initio MO calculations at the G3(MP2) level of theory were employed to study the molecular structures of SF 2 , FSSF 3 , and SSF 4 , as well as the dimerization of gaseous SF 2 to FSSF 3 and the isomerization of FSSF 3 to SSF 4 . The dimerization of SF 2 was calculated to be an exother