Proton magnetic shielding tensors in benzene - From the individual molecule to the crystal

Angewandte Chemie - International Edition

Volumn 45, Issue 43, 2006, Pages 7292-7295

  Heine, Thomas ^a   Corminboeuf, Clémence ^b,d   Grossmann, Gisbert ^a   Haeberlen, Ulrich ^c  

^a DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

^b UNIVERSITY OF GENEVA   (Switzerland)

^c MAX PLANCK INSTITUTE FOR MEDICAL RESEARCH   (Germany)

^d UNIVERSITY OF GEORGIA   (United States)

Author keywords

Benzene; Density functional calculations; Intermolecular shielding; NMR spectroscopy; Shielding tensors

Indexed keywords

BENZENE; CRYSTALS; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; PROTONS; TENSORS;

DENSITY FUNCTIONAL CALCULATIONS; INTERMOLECULAR SHIELDING; SHIELDED PRINCIPAL AXES; SHIELDING TENSORS;

MAGNETIC SHIELDING;

EID: 33750970878     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200601557     Document Type: Article

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