Computation of through-space NMR shielding effects in aromatic ring π-stacked complexes

Journal of Molecular Graphics and Modelling

Volumn 26, Issue 7, 2008, Pages 1125-1130

  Martin, Ned H ^a   Floyd, Ruth M ^a   Woodcock, H Lee ^a   Huffman, Scott ^a   Lee, Chang Kiu ^b  

^a UNIVERSITY OF NORTH CAROLINA WILMINGTON   (United States)

^b Kangwon National University   (South Korea)

Author keywords

Aryl aryl stacked complex; Concentration dependent NMR chemical shifts; HF GIAO calculations; NMR; Through space shielding effects

Indexed keywords

AROMATIC COMPOUNDS; DIMERS; HYDROGEN; NUCLEAR MAGNETIC RESONANCE; POLARIZATION;

HF-GIAO CALCULATIONS; THROUGH-SPACE SHIELDING EFFECTS;

MAGNETIC SHIELDING;

1,3,5 TRIMETHYLBENZENE; AROMATIC COMPOUND; BENZENE; DIMER; HYDROGEN;

ARTICLE; COMPLEX FORMATION; CONCENTRATION RESPONSE; MOLECULAR PROBE; NUCLEAR MAGNETIC RESONANCE; POLARIZATION; PRIORITY JOURNAL; SUBSTITUTION REACTION;

BENZENE DERIVATIVES; COMPUTER SIMULATION; DIMERIZATION; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PYRROLES; TRINITROBENZENES;

EID: 40749134146     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2007.10.004     Document Type: Article

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