The molecular properties of the halogen pseudohalides studied by both ab initio and DFT methods

Journal of Molecular Structure

Volumn 825, Issue 1-3, 2006, Pages 93-100

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

^a UNIVERSITY OF EDINBURGH   (United Kingdom)

Author keywords

Ab initio calculations; Density functional calculations; Dipole moments; Molecular properties; Quadrupole moments; Second moments

Indexed keywords

COMPUTATION THEORY; MICROWAVE MEASUREMENT; PROBABILITY DENSITY FUNCTION;

AB INITIO CALCULATIONS; DENSITY FUNCTIONAL CALCULATIONS; DIPOLE MOMENTS; MOLECULAR PROPERTIES; QUADRUPOLE MOMENTS; SECOND MOMENTS;

NITROGEN COMPOUNDS;

EID: 33751185729     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2006.03.104     Document Type: Article

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