Study of structural and electronic origin of ambergris odor of some compounds
| Autor: | Li Xu, Li Ping Cheng, Gen Li Wang, Hai Fang Mao |
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| Rok vydání: | 2008 |
| Předmět: |
Quantum chemical
Molecular Structure Chemistry Organic Chemistry Ambergris Catalysis Computer Science Applications Inorganic Chemistry Structure-Activity Relationship Computational Theory and Mathematics Odor Computational chemistry Odorants Polycyclic Compounds Physical and Theoretical Chemistry psychological phenomena and processes Electronic properties |
| Zdroj: | Journal of Molecular Modeling. 15:1-8 |
| ISSN: | 0948-5023 1610-2940 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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