Computational Data for "Synthesis, Structures and Photophysical Properties of Tetra- and Hexanuclear Zinc Complexes Supported by Tridentate Schiff Base Ligands"

Name: Computational Data for "Synthesis, Structures and Photophysical Properties of Tetra- and Hexanuclear Zinc Complexes Supported by Tridentate Schiff Base Ligands"
Creator: Karabtsova, Viktoriia; Kersting, Berthold; Weiske, Hendrik; Severin, Tobias; Kuc, Agnieszka; Börner, Martin
Published: 2023-04-18T00:00:00+08:00

Zenodo2023-04-18 更新2026-04-07 收录

锌配合物光物理性质模拟

密度泛函理论计算

数据链接：

https://zenodo.org/record/7837333 数据链接链接失效反馈

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资源简介：

Computational data used for the article "Synthesis, Structures and Photophysical Properties of Tetra- and Hexanuclear Zinc Complexes Supported by Tridentate Schiff Base Ligands". This Includes the geometries, optimizations, and the TD-DFT calculations of all mentioned structures and simulated UV-Vis spectra.

提供机构：

Karabtsova, Viktoriia; Kersting, Berthold; Weiske, Hendrik; Severin, Tobias; Kuc, Agnieszka; Börner, Martin

创建时间：

2023-04-18