Group Contribution Revisited: The Enthalpy of Formation of Organic Compounds with “Chemical Accuracy” Part III
Group contribution (GC) methods to predict thermochemical properties are eminently important to process design. We report on a GC parametrization for the heat of formation of organic molecules exhibiting chemical accuracy, i.e., a maximum 1 kcal/mol (4.2 kJ/mol) difference between experimental and m...
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-11-01
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| Series: | AppliedChem |
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| Online Access: | https://www.mdpi.com/2673-9623/2/4/15 |