Deng, Juanli; Su, Kehe; Zeng, Yan; Wang, Xin; Zeng, Qingfeng - In: Physica A: Statistical Mechanics and its Applications 387 (2008) 22, pp. 5440-5456
Density functional theory, high-level model chemistry at G3(MP2), CBS-Q, G3//B3LYP, G3(QCI) and QCISD(T)/aug-cc-pv5z levels of theory combined with statistical thermodynamics have been employed to explore the thermodynamic properties of gaseous SiC(X 3Π) and SiC(a 1Σ). The heat capacities...