المؤلفون: Mingxue Fu (10745022), Tomasz A. Wesolowski (1540336)

مصطلحات موضوعية: Biophysics, Molecular Biology, Biotechnology, Evolutionary Biology, Ecology, Infectious Diseases, Physical Sciences not elsewhere classified, evaluate different contributions, density embedding theory, average absolute errors, appropriate density expansion, 47 local excitations, specific electron densities, embedded wave functions, >, >), vertical excitation energy, fdet embedding potential, excitation energies drop, >, excitation energy, excitation energies, sub ><, embedded species, embedded electrons, embedded chromophores, embedded chromophore, use state, standard deviations, specific ρ

Relation: https://figshare.com/articles/journal_contribution/Excitation_Energies_of_Embedded_Chromophores_from_Frozen-Density_Embedding_Theory_Using_State-Specific_Electron_Densities_of_the_Environment/21817814

الاتاحة: https://doi.org/10.1021/acs.jpca.2c07747.s001

المؤلفون: Mingxue Fu (10745022), Tomasz A. Wesolowski (1540336)

مصطلحات موضوعية: Biophysics, Molecular Biology, Biotechnology, Evolutionary Biology, Ecology, Infectious Diseases, Physical Sciences not elsewhere classified, evaluate different contributions, density embedding theory, average absolute errors, appropriate density expansion, 47 local excitations, specific electron densities, embedded wave functions, >, >), vertical excitation energy, fdet embedding potential, excitation energies drop, >, excitation energy, excitation energies, sub ><, embedded species, embedded electrons, embedded chromophores, embedded chromophore, use state, standard deviations, specific ρ

Relation: https://figshare.com/articles/dataset/Excitation_Energies_of_Embedded_Chromophores_from_Frozen-Density_Embedding_Theory_Using_State-Specific_Electron_Densities_of_the_Environment/21817817

الاتاحة: https://doi.org/10.1021/acs.jpca.2c07747.s002