Influence of stacking interactions on NMR chemical shielding tensors in benzene and formamide homodimers as studied by HF, DFT and MP2 calculations

Journal of Physical Chemistry A

Volumn 107, Issue 19, 2003, Pages 3952-3959

  Czernek, Jiří ^a  

^a INSTITUTE OF MACROMOLECULAR CHEMISTRY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC STACKING; CHEMICAL SHIELDING; DENSITY FUNCTIONAL THEORY; FORMAMIDE HOMODIMER; NONAROMATIC STACKING; STACKING INTERACTION;

ANISOTROPY; BENZENE; CALCULATIONS; COMPUTATIONAL METHODS; DIMERS; ELECTRONS; MONOMERS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION; STACKING FAULTS;

MOLECULAR DYNAMICS;

EID: 0037711394     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp022467x     Document Type: Article

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