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Pierre-François Loos, Denis Jacquemin

Public reference bibliography and cataloged PDF materials authored or published by Pierre-François Loos, Denis Jacquemin.

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A Mountaineering Strategy to Excited States: Accurate Vertical Transition Energies and Benchmarks for Substituted Benzenes

Year: 2024 • Source: hal.science • Listed PDF

To expand the existing QUEST database of accurate vertical transition energies [Véril et al. WIREs Comput. Mol. Sci. 2021, 11, e1517], we have modeled more than 100 electronic excited states of different natures (local, ...