A joined theoretical-experimental investigation on the1H and13C NMR signatures of defects in poly(vinyl chloride)

Journal of Physical Chemistry B

Volumn 112, Issue 47, 2008, Pages 14804-14818

  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

ATOMIC PHYSICS; ATOMS; BOLTZMANN EQUATION; CHEMICAL COMPOUNDS; CHEMICAL SHIFT; DENSITY FUNCTIONAL THEORY; ELECTRIC POWER PLANTS; EXPERIMENTS; HYDROCARBONS; MOLECULAR MECHANICS; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PARAFFINS; PHASE EQUILIBRIA; PLASTIC PRODUCTS; POLYVINYL CHLORIDES; PORT TERMINALS; PROTONS; SYSTEMATIC ERRORS;

B3LYP FUNCTIONAL; BASIS SETS; BOLTZMANN DISTRIBUTIONS; C ATOMS; CHLOROALLYLIC END GROUPS; CL ATOMS; COMPUTATIONAL SCHEMES; CORRELATION FUNCTIONAL; EQUILIBRIUM CONFORMATIONS; ETHYL BRANCHES; EXPERIMENTAL INVESTIGATIONS; FORCE FIELDS; GEOMETRICAL STRUCTURES; LARGE PARTS; LINEAR REGRESSION EQUATIONS; METHOD OF CALCULATIONS; MODEL COMPOUNDS; NUCLEAR SHIELDING; POLY(VINYL CHLORIDE); QUANTUM CHEMISTRY METHODS; REACTION MECHANISMS; SHAM LEVELS; SPECIFIC FREQUENCIES; STABLE CONFORMERS; STERIC INTERACTIONS; TACTICITIES; TERMINAL UNITS;

CHLORINE COMPOUNDS;

EID: 57449085750     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp805676q     Document Type: Article

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