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Garino, Claudio; Terenzi, Alessio; Barone, Giampaolo; Salassa, Luca – Journal of Chemical Education, 2016
Among computational methods, DFT (density functional theory) and TD-DFT (time-dependent DFT) are widely used in research to describe, "inter alia," the optical properties of transition metal complexes. Inorganic/physical chemistry courses for undergraduate students treat such methods, but quite often only from the theoretical point of…
Descriptors: Science Instruction, Chemistry, College Science, Undergraduate Study