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Description
Topological defects have attracted considerable interest because of their significant influence on the behaviour and interactions of molecular systems. This study therefore investigates their effects on the thermal properties of selected diatomic molecules within the shifted Newing function framework. The radial Schrodinger equation is solved using the Nikiforov–Uvarov functional analysis method and the Pekeris approximation to obtain the vibrational and rotational eigensolutions. The energies increase and become more degenerate with increasing quantum numbers and decreasing topological defect parameters, while the amplitudes of wave functions and probability densities are influenced as the quantum states become more excited. Vibrational energies are also used to derive thermochemical models as functions of temperature. The results show excellent agreement with experimental data for the selected molecules, with negligible computational deviations. Graphical analysis further confirms the dependence of both the energy spectra and the thermal properties on the topological defect parameters.