A Density Functional Theory Study of Hydrogen Transfer and Rotational Barriers in Vitamin E-like Molecules
A study of the antioxidant property of two vitamin E simplifications with density functional theory has been done. In one of the simplifications the phytyl tail and the methyl group on the heterocyclic ring in vitamin E is replaced by two hydrogen atoms, simplification A. In the other simplification...
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| Format: | Others |
| Language: | English |
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Norges teknisk-naturvitenskapelige universitet, Institutt for fysikk
2011
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| Online Access: | http://urn.kb.se/resolve?urn=urn:nbn:no:ntnu:diva-12798 |