Talk:Mod:Rachel Gregory Mod3

Introduction

Short.

Cope rearrangement

Conformers successfully optimised. Good to discuss their relative energy. You should use the frequency calculation to check the structure optimised is a minimum on the PES. Chair TS successfully optimised using the different methods. The QST2 Boat optimisation may have failed because of wrong labeling? IRC done but if a minimum has not been reached further investigation is needed. Good conclusion.

Diels Alder

All questions answered well