Computation of through-space NMR shielding effects by aromatic ring-cation complexes: Substantial synergistic effect of complexation

Journal of Molecular Graphics and Modelling

Volumn 25, Issue 6, 2007, Pages 806-812

  Martin, Ned H ^a   Main, Kristin L ^a   Pyles, Amy K ^a  

^a UNIVERSITY OF NORTH CAROLINA WILMINGTON   (United States)

Author keywords

Benzene; Benzene cation complex; GIAO; NMR; Synergistic shielding effect; Through space shielding effects

Indexed keywords

BENZENE; COMPLEXATION; COMPUTATION THEORY; NUCLEAR MAGNETIC RESONANCE; POLARIZATION; POSITIVE IONS; PROTONS; SHIELDING;

BENZENE CATION COMPLEX; ISOTROPIC SHIELDING; SPACE SHIELDING EFFECTS; SYNERGISTIC SHIELDING EFFECT;

AROMATIC COMPOUNDS;

AMMONIA; BENZENE; CATION; HYDROGEN; LITHIUM; MAGNESIUM ION; POTASSIUM ION; SODIUM ION;

ARTICLE; COMPLEX FORMATION; ELECTRON; METHODOLOGY; NORMAL DISTRIBUTION; NUCLEAR MAGNETIC RESONANCE; POLARIZATION; PRIORITY JOURNAL; SEPARATION TECHNIQUE;

ALGORITHMS; BENZENE; CATIONS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL; MODELS, MOLECULAR;

EID: 33846828777     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2006.08.001     Document Type: Article

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