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Conformational Analysis of Retinoic Acids: Effects of Steric Interactions on Nonplanar Conjugated Polyenes

Retinoic acids and other vitamin A analogs contain a trimethylcyclohexenyl ring in conjugation with a polyene chain joined at carbon-6 (C6) and carbon-7 (C7). A MP2-SCS/cc-pVDZ// B3LYP/6-31G(d) 2-D potential energy surface was computed for all-trans retinoic acid, which had 6 minima (3 enantiomeric...

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Publicat a:Comput Theor Chem
Autors principals: Cox, Bryan D., Muccio, Donald D., Hamilton, Tracy P.
Format: Artigo
Idioma:Inglês
Publicat: 2013
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC4364447/
https://ncbi.nlm.nih.gov/pubmed/25798372
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.comptc.2013.01.013
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