Computational Investigation of the Structural, Vibrational, Electronic, and Thermodynamic Properties of Carbon Disulfide (CS₂) Using the PM3 Semi-Empirical Method
Carbon disulfide (CS₂) is a linear molecule that has attracted significant attention in computational chemistry because of its distinctive structural, vibrational, electronic, and thermodynamic characteristics. In the present work, these properties were systematically investigated using the PM3 semi-empirical method im...