Journal of Chemical Physics, Vol.119, No.17, 8849-8853, 2003
The carbon pentamer dication C-5(2+): Toward thermochemical stability
Various computational ab-initio methods are employed to study the doubly-charged carbon system C-5(2+). For its electronic ground state, equilibrium geometries are identified, and their stability against dissociation investigated. Multireference configuration-interaction results indicate a weakly bound but thermochemically stable dication. (C) 2003 American Institute of Physics.