"Cyanide"

Ab initio investigation of high multiplicity Σ+–Σ+ optical transitions in the spectra of CN and isoelectronic species

Based on high-level ab initio calculations, we predict the existence of a strong ⁴Σ⁺–⁴Σ⁺ optical transition (d_av=1.6 D) near 328 nm (T …

Heather J. Kulik, Adam H. Steeves, Robert W. Field

Ab initio investigation of high multiplicity Σ+–Σ+ optical transitions in the spectra of CN and isoelectronic species