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[Annual Reports in Computational Chemistry] Annual Reports in Computational Chemistry Volume 8 Volume 8 || Ab Initio Composite Approaches

✍ Scribed by Jiang, Wanyi

Book ID
119994365
Publisher
Elsevier
Year
2012
Tongue
English
Weight
183 KB
Category
Article
ISBN
044459440X
ISSN
1574-1400

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[Annual Reports in Computational Chemist
[Annual Reports in Computational Chemistry] Annual Reports in Computational Chemistry Volume 8 Volume 8 || A Practical Guide to Reliable First Principles Computational Thermochemistry Predictions Across the Periodic Table
✍ Dixon, David A. πŸ“‚ Article πŸ“… 2012 πŸ› Elsevier 🌐 English βš– 217 KB

The Feller-Peterson-Dixon approach to the reliable prediction of thermochemical properties to chemical accuracy is described. The method calculates the total atomization energy of a molecule and then uses experimental atomic heats of formation to calculate the heat of formation. The method is based