Evaluation of the ligand-metal interaction in organogold(III)-pyridines complexes: dataset of the theoretical part of the project
收藏Recherche Data Gouv France2023-01-01 更新2026-04-09 收录
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https://entrepot.recherche.data.gouv.fr/citation?persistentId=doi:10.57745/WLIZQB
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资源简介：
All output files which constitute the theoretical part of the work: Bond dissociation energies to probe ligand effects on organogold(III)-pyridines complexes: methodological development, π-backdonation investigation and application in catalysis, published in Inorg. Chem. 2023, 62, 33, 13304–13314. All the calculations were performed on the Mesu Supercomputer at Sorbonne Université (https://sacado.sorbonne-universite.fr/mesu-platform/) Details of the dataset are given in the README file.
提供机构：
); /Institute of Physical Chemistry, Karlsruhe Institute of Technology)
创建时间：
2023-01-01
