| Literature DB >> 18936989 |
Li Ping Cheng1, Li Xu, Hai Fang Mao, Gen Li Wang.
Abstract
The correlation between structural, stereochemical as well as electronic features and ambergris odor of some tricyclic ethers is established based on quantum chemical calculation method. A definite structural fragment (a "new ambergris triangle") with certain electronic properties determining the origin of the odor is revealed. The influence of HOMO-LUMO energy gaps and total energies of some ambergris compounds on their odor intensity is investigated.Entities:
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Year: 2008 PMID： 18936989 DOI： 10.1007/s00894-008-0363-3
Source DB: PubMed Journal: J Mol Model ISSN： 0948-5023 Impact factor: 1.810