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Modeling of thermodynamics of substituted toluene derivatives and benzylic radicals via group additivity
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- PhD Thesis
- open access
Substituent effects in oxygenated monocyclic aromatic hydrocarbons : ab initio based group additivity
(2017) -
- Journal Article
- A1
- open access
Group additive modeling of substituent effects in monocyclic aromatic hydrocarbon radicals
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First-principles based group additivity values for thermochemical properties of substituted aromatic compounds
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Towards automated mechanism generation of lignin pyrolysis models: development of Group Additivity parameters for aromatic species
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First-principles based group additivity values for thermochemical properties of substituted aromatic compounds