5 years ago

Density Functional Theory Study of Spirodienone Stereoisomers in Lignin

Density Functional Theory Study of Spirodienone Stereoisomers in Lignin
Gregg T. Beckham, Laura Berstis, Michael F. Crowley, Thomas Elder
The optimized geometry and frontier molecular orbitals of the low energy spirodienone stereoisomer in lignin are studied.

Publisher URL: http://dx.doi.org/10.1021/acssuschemeng.7b01373

DOI: 10.1021/acssuschemeng.7b01373

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