Ab initio calculation of 1H and 13C NMR shielding constants in solid acetylene

Solid State Nuclear Magnetic Resonance

Volumn 8, Issue 3, 1997, Pages 139-145

  Pecul, Magdalena ^a   Jackowski, Karol ^a   Wozniak, Krzysztof ^a   Sadlej, Joanna ^a  

^a UNIVERSITY OF WARSAW   (Poland)

Author keywords

Ab initio calculations; Acetylene; GIAO method; NMR shielding constants

Indexed keywords

ACETYLENE; CARBON;

ANISOTROPY; ARTICLE; CHEMISTRY; GAS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PHYSICAL CHEMISTRY; PROBABILITY; SENSITIVITY AND SPECIFICITY;

ACETYLENE; ANISOTROPY; CARBON; CHEMISTRY, PHYSICAL; GASES; MAGNETIC RESONANCE SPECTROSCOPY; PROBABILITY; SENSITIVITY AND SPECIFICITY;

ANISOTROPY; CARBON; COMPUTATIONAL METHODS; CRYSTAL LATTICES; HYDROGEN; NUCLEAR MAGNETIC RESONANCE; PROTONS;

GAUGE INDEPENDENT ATOMIC ORBITAL (GIAO) METHOD; HARTREE FOCK APPROXIMATION; SHIELDING CONSTANTS;

ACETYLENE;

EID: 0031128590     PISSN: 09262040     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0926-2040(97)00001-5     Document Type: Article

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