Toward the complete prediction of the1H and13C NMR spectra of complex organic molecules by DFT methods: Application to natural substances

Chemistry - A European Journal

Volumn 12, Issue 21, 2006, Pages 5514-5525

  Bagno, Alessandro ^a   Rastrelli, Federico ^a   Saielli, Giacomo ^b  

^a UNIVERSITY OF PADOVA   (Italy)

^b INSTITUTE ON MEMBRANE TECHNOLOGY   (Italy)

Author keywords

Density functional calculations; Natural products; NMR spectroscopy; Structure elucidation

Indexed keywords

COMPUTER SIMULATION; MATHEMATICAL MODELS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; SOLVENTS; STATISTICAL METHODS;

DENSITY FUNCTIONAL CALCULATIONS; MODELING; NATURAL PRODUCTS; STRUCTURE ELUCIDATION;

ORGANIC COMPOUNDS;

BIOLOGICAL PRODUCT; BOLETUNONE B; CARBON; CORIANLACTONE; DAPHNIPAXININ; FUSED HETEROCYCLIC RINGS; LACTONE; PROTON; SESQUITERPENE; STRYCHNINE;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE;

ALGORITHMS; BIOLOGICAL PRODUCTS; CARBON ISOTOPES; HETEROCYCLIC COMPOUNDS WITH 4 OR MORE RINGS; LACTONES; MODELS, MOLECULAR; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PROTONS; SESQUITERPENES; STRYCHNINE;

EID: 33746274916     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200501583     Document Type: Article

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