https://www.selleckchem.com/pr....oducts/a-d-glucose-a
Our methodology also makes it possible to analyze the contribution of individual vibrational normal modes to the redshift of excited state energies, and in several molecules, we identify a limited number of modes dominating this effect. Overall, our study provides a foundation for systematically quantifying the shift of excited state energies due to nuclear quantum motion and for understanding this effect at a microscopic level.The Hückel Hamiltonian is an incredibly simple tight-binding model known for its ability to capt
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