Z. Alsawaff

The thermodynamic, photovoltaic characteristic and electronic analysis on a group of benzimidazole derivatives: a quantum chemical study

A density functional theory study was carried out on benzimidazole derivatives in the gas phase to investigate the effect of temperature on the molecules and to estimate thermodynamic properties such as enthalpy, entropy, heat capacity, and correlation properties. The temperature range (200 K to 1000 K) was investigate...