Data to support Chapter 2 of Thesis: Ring-opened adducts of terpene-derived cyclic carbonates
收藏DataCite Commons2020-12-31 更新2024-07-28 收录
下载链接：
https://figshare.com/articles/dataset/Data_to_support_Chapter_2_of_Thesis_Ring-opened_adducts_of_terpene-derived_cyclic_carbonates/12966740
下载链接
链接失效反馈官方服务：
资源简介：
Data to Support Chapter 2 of Thesis: Ring-opened Adducts of Terpene-derived Cyclic Carbonates<br>Thomas McGuire<br>Study:-DFT-optimised geometries of limonene CC, carene CC, carenene CC and <i>trans</i>-CHC- DFT-optimised geometries of MeOH and DMC<br>Protocol:-Functional: wb97XD-Basis sets: 6–31+G(2d,p)-Solvent model: CPCM MeOH-Temperature: 298.15 K<br>Content:- Gaussian09 rev D.01 output files- Reaction profiles.pdf (contains schemes with free energy values relating to described structures)<br>
提供机构：
figshare
创建时间：
2020-09-17
