DFT molecular modeling and NMR conformational analysis of a new longipinenetriolone diester

Journal of Molecular Structure

Volumn 789, Issue 1-3, 2006, Pages 37-42

  Cerda García Rojas, Carlos M ^a   Guerra Ramírez, Diana ^a   Román Marín, Luisa U ^b   Hernández Hernández, Juan D ^b   Joseph Nathan, Pedro ^a  

^a DEPARTAMENTO DE FÍSICA   (Mexico)

^b UNIVERSIDAD MICHOACANA DE SAN NICOLÁS DE HIDALGO   (Mexico)

Author keywords

1H 1H coupling constants; Conformation; DFT calculations; Longipinene derivatives; Molecular modeling; NMR; Stevia eupatoria

Indexed keywords

COMPUTER SIMULATION; CONFORMATIONS; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; MONTE CARLO METHODS; NUCLEAR MAGNETIC RESONANCE;

1 H 1 H COUPLING CONSTANTS; LONGIPINENE DERIVATIVES; MOLECULAR MODELING; STEVIA EUPATORIA;

ESTERS;

EID: 33744979718     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2005.12.017     Document Type: Article

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