المؤلفون: Betül Ermiş (11634864), Emel Ekinci (11634867), Uğur Bozkaya (1619857)

مصطلحات موضوعية: Biophysics, Biotechnology, Computational Biology, Space Science, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, pv5z basis set, also reasonably accurate, three test sets, analytic gradient computation, vertical electron affinities, experimental electron affinities, enables direct computations, method accurate computation, ekt approach based, electron affinities, electron integrals, shell molecules, perturbative triples, o33 sets, motion approaches, ionic species, huge advantage, first time, ekt method, ea computations, computationally affordable, common approaches

Relation: https://figshare.com/articles/journal_contribution/State-Of-The-Art_Computations_of_Vertical_Electron_Affinities_with_the_Extended_Koopmans_Theorem_Integrated_with_the_CCSD_T_Method/16917423

الاتاحة: https://doi.org/10.1021/acs.jctc.1c00938.s001

المؤلفون: Wei Wang

مصطلحات موضوعية: Uncategorized, New sample data, Three training sets, Three test sets, geo, stat

Relation: https://doi.org/10.6084/m9.figshare.12496841.v1

الاتاحة: https://doi.org/10.6084/m9.figshare.12496841.v1