The molecular and electronic structures of the halogen pseudohalides, a comparison of ab initio and DFT calculated structural and vibrational results with spectroscopic data

Journal of Molecular Structure

Volumn 782, Issue 2-3, 2006, Pages 94-105

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

^a UNIVERSITY OF EDINBURGH   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

DIFFRACTION; DISCRETE FOURIER TRANSFORMS; ELECTRONIC STRUCTURE; GROUND STATE; HARMONIC ANALYSIS; MOLECULAR STRUCTURE;

ANHARMONIC FREQUENCIES; BOND LENGTHS; SPECTRAL DATA; VIBRATIONAL STATE;

HALOGEN COMPOUNDS;

EID: 31144459062     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2005.07.022     Document Type: Article

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