Browsing Τμήμα Χημείας / Department of Chemistry by Author "Jensen, F."
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Phenyl radical, cation, and anion. The triplet-singlet gap and higher excited states of the phenyl cation
Nicolaïdes, Andrew N.; Smith, D. M.; Jensen, F.; Radom, L. (1997)High-level ab initio molecular orbital calculations have been carried out for the phenyl cation (1), the phenyl radical (2), and the phenyl anion (3). Our best estimate for the heat of formation (ΔH(f298)) of the phenyl ...