Data to Support Chapter 7 of Thesis: BIP Adduct Formation
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Data to Support Chapter 7 of Thesis: BIP Adduct Formation<br><br>Thomas McGuire<br>Study:-DFT-optimised geometries of various borylated iminophosphoranes- DFT-optimised geometries of H2O and 4-MeBnOH<br>Protocol:-Functional: wb97XD-Basis sets: 6–31+G(2d,p)-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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2020-12-31
