Magnetic inequivalency, electron paramagnetic resonance, electronic structure, optimal geometry, and electronic spectra of the 4,5-bis(trifluoromethyl)-1,3,2-dithiazol-2-yl radical

Journal of Physical Chemistry A

Volumn 104, Issue 16, 2000, Pages 3718-3732

  Mattar, Saba M ^a   Stephens, Alyson D ^a  

^a UNIVERSITY OF NEW BRUNSWICK   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ELECTRON DIFFRACTION; ELECTRON RESONANCE; ELECTRON SPIN RESONANCE SPECTROSCOPY; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; FREE RADICALS; FUNCTIONS; GROUND STATE; MAGNETIC FIELDS; MOLECULAR STRUCTURE; TENSORS;

DENSITY FUNCTIONAL THEORY (DFT); MAGNETIC INEQUIVALENCY; MOLECULAR ORBITAL COEFFICIENTS; SPIN HAMILTONIAN TENSORS;

FLUORINE COMPOUNDS;

EID: 0033751530     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9938720     Document Type: Article

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