Hyperfine coupling constants and electron-spin g-factors of the isovalent radicals C2-, Li2C2+, linear CCX (X = H, Li, Be+), and bent C2X (X = Li, Na, Be+, Mg+): An ab initio study

Journal of Molecular Structure: THEOCHEM

Volumn 617, Issue 1-3, 2002, Pages 149-168

  Bruna, Pablo J ^a   Grein, Friedrich ^a  

^a UNIVERSITY OF NEW BRUNSWICK   (Canada)

Author keywords

Ab initio calculations; C2 type radicals; Comparison with experimental results; Density functional calculations; Electron spin resonance g factors; Hyperfine coupling constants

Indexed keywords

BERYLLIUM; LITHIUM DERIVATIVE; MAGNESIUM ION; SODIUM;

ARTICLE; CALCULATION; CONFORMATION; ELECTRON SPIN RESONANCE; REPRODUCIBILITY; STRUCTURE ANALYSIS; WAVEFORM;

EID: 0037206417     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(02)00424-4     Document Type: Article

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