Comprehensive analysis of DFT-3C methods with B3LYP and experimental data

Name: Comprehensive analysis of DFT-3C methods with B3LYP and experimental data
Creator: Indian Institute of Science Education and Research, Tirupati
Published: 2024-01-25T00:00:00+08:00

Zenodo2024-01-25 更新2026-04-07 收录

DFT密度泛函理论

有机光电材料性质预测

数据链接：

https://zenodo.org/doi/10.5281/zenodo.10565552 数据链接链接失效反馈

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资源简介：

This is the dataset for the publication, Comprehensive analysis of DFT-3C methods with B3LYP and experimental data to model optoelectronic properties of tetracene.

提供机构：

Indian Institute of Science Education and Research, Tirupati

创建时间：

2024-01-25