The nuclear quadrupole coupling of the halogen pseudohalides: A comparison of ab initio and DFT studies with spectroscopic data

Journal of Molecular Structure

Volumn 828, Issue 1-3, 2007, Pages 91-101

  Palmer, Michael H ^a   Nelson, Alistair D ^a  

^a UNIVERSITY OF EDINBURGH   (United Kingdom)

Author keywords

ab initio; DFT; Microwave spectroscopy; Nuclear quadrupole coupling

Indexed keywords

AMINES; DISCRETE FOURIER TRANSFORMS; ELECTRIC FIELD EFFECTS; LINEAR SYSTEMS; MICROWAVE SPECTROSCOPY; PARTICLE SIZE ANALYSIS;

HALOGEN PSEUDOHALIDES; NUCLEAR QUADRUPOLE COUPLING;

HALOGEN COMPOUNDS;

EID: 33846648806     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2006.05.042     Document Type: Article

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