Density functional theory investigation of the stereochemistry effects on 1H and 13C NMR chemical shifts of poly(vinyl chloride) oligomers

Chemical Physics Letters

Volumn 411, Issue 1-3, 2005, Pages 207-213

  D'Antuono, Philippe ^a   Botek, Edith ^a   Champagne, Benoît ^a   Wieme, Joris ^b   Reyniers, Marie Françoise ^b   Marin, Guy B ^b   Adriaensens, Peter J ^c   Gelan, Jan M ^c  

^a UNIVERSITY OF NAMUR   (Belgium)

^b GHENT UNIVERSITY   (Belgium)

^c HASSELT UNIVERSITY   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; COMPUTER SIMULATION; CONFORMATIONS; ELECTRONS; ISOMERS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OLIGOMERS; PROBABILITY DENSITY FUNCTION; STEREOCHEMISTRY;

CHEMICAL SHIFTS; CHEMICAL STABILITY; DENSITY FUNCTIONAL THEORY (DFT); STEREOISOMERS;

POLYVINYL CHLORIDES;

EID: 22544441940     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.06.011     Document Type: Article

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