Pre-fragmentation dynamics of C"6"0. A molecular dynamics investigation - Serra, S.; Sanguinetti, S.; Colombo, L. (Elsevier)
We investigate by classical molecular dynamics the pre-fragmentation dynamics of a C"6"0 molecule, occurring above 4500 K, and calculate the curve of the caloric equation of state. We discuss the solid-to-liquid transition displayed by C"6"0 just below the disintegration temperature. Moreover, we report on the existence of a phase characterized by hoppings among different isomeric structures. A metastable liquid-like state is observed and discussed as well.
http://linkinghub.elsevier.com/retrieve/pii/0009-2614(94)00619-9
Keywords: V; U