DFT-GIAO study of aryltetralin lignan lactones: Conformational analyses and chemical shifts calculations

Bioorganic Chemistry

Volumn 33, Issue 6, 2005, Pages 484-492

  Casanovas, Jordi ^a   Namba, Adriana M ^b   Da Silva, R ^c   Alemán, Carlos ^d  

^a UNIVERSITY OF LLEIDA   (Spain)

^b UNIVERSITY OF SÃO PAULO   (Brazil)

^c UNIVERSIDADE DE FRANCA   (Brazil)

^d UNIVERSITAT POLITÈCNICA DE CATALUNYA   (Spain)

Author keywords

Aryltetralin; Conformational analyses; DFT calculations; GIAO calculations; Lactone; Lignans; Morelensin; Polygamain

Indexed keywords

CARBON 13; CHLOROFORM; LACTONE DERIVATIVE; LIGNAN DERIVATIVE; MORELENSIN DERIVATIVE; POLYGAMAIN DERIVATIVE; TETRALIN DERIVATIVE; UNCLASSIFIED DRUG;

ANALYTIC METHOD; ARTICLE; CALCULATION; DENSITY FUNCTIONAL THEORY; DRUG CONFORMATION; ENERGY; GAS; INTERMETHOD COMPARISON; MOLECULAR WEIGHT; PARAMETER; PRIORITY JOURNAL; PROTON NUCLEAR MAGNETIC RESONANCE;

EID: 84962374929     PISSN: 00452068     EISSN: 10902120     Source Type: Journal    
DOI: 10.1016/j.bioorg.2005.10.003     Document Type: Article

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