Predicting 13C NMR spectra by DFT calculations

Journal of Physical Chemistry A

Volumn 107, Issue 46, 2003, Pages 9964-9973

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

^a UNIVERSITY OF PADOVA   (Italy)

^b INSTITUTE ON MEMBRANE TECHNOLOGY   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; BROMINE; CALCULATIONS; CARBON; CHEMICAL BONDS; CONFORMATIONS; MOLECULES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROBABILITY DENSITY FUNCTION;

CHEMICAL SHIFTS; COUPLING CONSTANTS; SPIN-SPIN COUPLING CONSTANT;

ORGANIC COMPOUNDS;

EID: 0344272361     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0353284     Document Type: Article

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