Theoretical Calculations of Thermodynamic Properties of Small Halogen-Containing Molecules: Assessment of Reliability
Corresponding Author(s) : Arthur Finch
Asian Journal of Chemistry,
Vol. 1 No. 4 (1989): Vol 1 Issue 4
Abstract
With emphasis on enthalpies of formation, the reliability of recent all-valence-electron MNDO SCF-MO calculations with complete geometry optimisation have been assessed by comparison of computed and experimental values for selected halogen containing compounds.
Keywords
Theoretical Calculations
Thermodynamic Property
Small Halogen
Molecules
Assessment of Reliability
Finch, A., & P.B. Sandall, J. (2010). Theoretical Calculations of Thermodynamic Properties of Small Halogen-Containing Molecules: Assessment of Reliability . Asian Journal of Chemistry, 1(4), 313–317. Retrieved from https://asianpubs.org/index.php/ajchem/article/view/25417
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