Theoretical investigations of the γ-gauche effect on the 13C chemical shifts produced by oxygen atoms at the γ position by quantum chemistry calculations

Journal of Molecular Structure

Volumn 919, Issue 1-3, 2009, Pages 290-294

  Suzuki, Shinji ^a   Horii, Fumitaka ^a   Kurosu, Hiromichi ^b  

^a KYOTO UNIVERSITY   (Japan)

^b Kochi Prefectural Paper Technology Center   (Japan)

Author keywords

gauche effect; 13C chemical shifts; Conformation; Quantum chemistry calculations; Solid state NMR

Indexed keywords

ALCOHOLS; ATOMIC PHYSICS; BUTANE; CHEMICAL COMPOUNDS; CHEMICAL SHIFT; CHLORINE COMPOUNDS; CONFORMATIONS; LIQUEFIED PETROLEUM GAS; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OXYGEN; PROPANOL; QUANTUM CHEMISTRY; QUANTUM THEORY; SOLID STATE PHYSICS;

2 BUTANOL; 13C CHEMICAL SHIFTS; CHEMICAL STRUCTURES; CL ATOMS; CONFORMATION; N-BUTANE; N-PROPANOL; N-PROPYL; OH GROUPS; OXYGEN ATOMS; QUANTUM CHEMISTRY CALCULATIONS; SOLID-STATE NMR;

ATOMS;

EID: 58749110303     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2008.09.019     Document Type: Article

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