Reactivity of lignin and lignans: Correlation with molecular orbital calculationsAuthor(s): Thomas Elder
Source: In: Heitner, Cyril; Dimmel, Donald R.; Schmidt, John A. eds.Lignin and Lignans: Advances in Chemistry. Boca Raton, FL: CRC Press. 321-347.
Publication Series: Book
Station: Southern Research Station
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DescriptionTo date, and as can be seen from the other chapters of this text, the structure and chemistry of lignin have been described in terms of results from a wide range of chemical or spectroscopic methods to construct a mosaic picture of the polymer. The current chapter continues this process by describing past, present and potential applications of electronic structure calculations to the chemistry of lignin, and correlation with experimental results.
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CitationElder, T. and Fort, Raymond C. (2010). Reactivity of lignin - correlation with molecular orbital calculations. In: Heitner, Cyril; Dimmel, Donald R.; Schmidt, John A. eds.Lignin and Lignans: Advances in Chemistry. Boca Raton, FL: CRC Press. 321-347.
- Radical nature of C- lignin
- Bond dissociation enthalpies of a pinoresinol lignin model compound
- Quantum chemical determination of young?s modulus of lignin. Calculations on ß-O-4' model compound
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