Search Results - Open Polar - "Excited state"

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Research Data for "TheoDORE: a Toolbox for a Detailed and Automated Analysis of Electronic Excited State Computations"

by Felix Plasser
Published 2019
“... of Electronic Excited State Computations" Content ZMSO2M - input/output files of Turbomole and TheoDORE...”

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2

Research Data for “Functionalisation of conjugated macrocycles with Type I and II concealed antiaromaticity via cross-coupling reactions”

by Felix Plasser, James Turner
Published 2023
“... : neutral ground state OPT_trip : neutral triplet excited state OPT_sing : neutral singlet excited state OPT...”

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