Germacrene D Cyclization: An Ab Initio Investigation
نویسندگان
چکیده
منابع مشابه
Germacrene D Cyclization: An Ab Initio Investigation
Essential oils that contain large concentrations of germacrene D are typically accompanied by cadinane sesquiterpenoids. The acid-catalyzed cyclization of germacrene D to give cadinane and selinane sesquiterpenes has been computationally investigated using both density functional (B3LYP/6-31G(*)) and post Hartree-Fock (MP2/6-31G(* *)) ab initio methods. The calculated energies are in general ag...
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ژورنال
عنوان ژورنال: International Journal of Molecular Sciences
سال: 2008
ISSN: 1422-0067
DOI: 10.3390/ijms9010089