Data to support Chapter 2 of Thesis: Ring-opened adducts of terpene-derived cyclic carbonates
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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>
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figshare
创建时间：
2020-12-31
