Conformational analysis of thioether musks using density functional theory

International Journal of Molecular Sciences

Volumn 10, Issue 8, 2009, Pages 3488-3501

  Setzer, William N ^a  

^a University of Alabama in Huntsville   (United States)

Author keywords

Ab initio molecular orbital theory; Conformational analysis; Density functional theory; Macrocycle; Musk; Thioether

Indexed keywords

10 THIA 14 TETRADECANOLIDE; 11 THIA 15 PENTADECANOLIDE; 12 THIA 15 PENTADECANOLIDE; 12 THIA 16 HEXADECANOLIDE; 4 METHYL 5 THIA 14 TETRADECANANOLIDE; 4 THIA 15 PENTADECANOLIDE; 6 THIA 14 TETRADECANOLIDE; 6 THIA 16 HEXADECANOLIDE; 7 THIA 15 PENTADECANOLIDE; 9 CYCLOHEPTADECEN 1 ONE; AMBRETTOLIDE; EXALTONE; KETONE DERIVATIVE; LACTONE DERIVATIVE; MACROCYCLIC COMPOUND; MUSCOLIDE; MUSCONE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CHEMICAL STRUCTURE; CONFORMATION; DENSITY FUNCTIONAL THEORY; MOLECULAR MECHANICS; PARAMETER;

AB INITIO MOLECULAR ORBITAL THEORY; CONFORMATIONAL ANALYSIS; DENSITY FUNCTIONAL THEORY; MACROCYCLE; MUSK; THIOETHER;

FATTY ACIDS, MONOUNSATURATED; MODELS, MOLECULAR; MONTE CARLO METHOD; SULFIDES;

THIA;

EID: 69549109760     PISSN: None     EISSN: 14220067     Source Type: Journal    
DOI: 10.3390/ijms10083488     Document Type: Article

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