Computation of through-space NMR shielding effects by small-ring aromatic and antiaromatic hydrocarbons

Journal of Molecular Graphics and Modelling

Volumn 25, Issue 4, 2006, Pages 389-395

  Martin, Ned H ^a   Loveless, David M ^a   Main, Kristin L ^a   Wade, Dustin C ^a  

^a UNIVERSITY OF NORTH CAROLINA WILMINGTON   (United States)

Author keywords

Antiaromatic; Aromatic; GIAO; Hydrocarbon; NMR; Through space shielding effects

Indexed keywords

HYDROGEN; IONIC CONDUCTION; NUCLEAR MAGNETIC RESONANCE; NUMERICAL METHODS;

AROMATIC RINGS; ISOTROPIC SHIELDING; THROUGH-SPACE SHIELDING EFFECTS;

AROMATIC HYDROCARBONS;

AROMATIC HYDROCARBON;

ARTICLE; HYDROGEN BOND; MATHEMATICAL COMPUTING; NORMAL DISTRIBUTION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PRIORITY JOURNAL;

COMPUTER GRAPHICS; ELECTROCHEMISTRY; HYDROCARBONS; HYDROCARBONS, AROMATIC; HYDROGEN; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL; MOLECULAR STRUCTURE;

EID: 33750496593     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2006.02.006     Document Type: Article

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