During my tenure, I was involved in research focused on electronic excitation and the associated photo-degradation pathways of phenylurea herbicides within the Theoretical and Computational Chemistry Research lab. I actively collaborated and communicated within a team and research group to investigate various herbicide structures using quantum chemical methods such as IQmol and Qchem. My responsibilities included utilizing quantum chemical methods to calculate the geometry, frequencies, and excited states of diverse phenylurea herbicides, with the aim of predicting the degradation behavior of herbicide molecules.