Quantum mechanical calculations of conformationally relevant1H and13C NMR chemical shifts of N-, O-, and S-substituted calixarene systems

Chemistry - A European Journal

Volumn 13, Issue 25, 2007, Pages 7185-7194

  Bifulco, Giuseppe ^a   Riccio, Raffaele ^a   Gaeta, Carmine ^a   Neri, Placido ^a  

^a UNIVERSITY OF SALERNO   (Italy)

Author keywords

Calixarenes; Conformation analysis; Density functional calculations; GIAO; NMR spectroscopy

Indexed keywords

CHEMICAL SHIFT; CONFORMATIONS; DENSITY FUNCTIONAL THEORY; QUANTUM THEORY;

CALIXARENE CONFORMATIONAL FEATURES; CALIXARENE MODELS; CALIXARENES; CONFORMATION ANALYSIS;

ORGANIC COMPOUNDS;

ARGON; CALIXARENE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; X RAY DIFFRACTION;

ARGON; CALIXARENES; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; X-RAY DIFFRACTION;

EID: 34548329879     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200700238     Document Type: Article

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