Journal of molecular graphics & modellingPyrazinesDensity Functional TheoryPhotochemical ProcessesModelsMolecular
Photophysical and photochemical reactivity of 1,4-dihydropyrazine derivatives: A theoretical investigation using DFT and TDDFT.
Changwei Ge, Haojing Li, Chaochun Wei, Xiaokun Zhang, Hong Yan
Published: 202610.1016/j.jmgm.2025.109213
Abstract
Eleven 1,4-dihydropyrazine derivatives were selected for theoretical investigation into the structural effects on photophysical properties and photochemical reactivity using Density Functional Theory (DFT) and Time-Dependent Density Functional Theory…
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