User talk:Wd812

The beginning of the work was done with a great deal of care and is thus of good standard, but unfortunately this was not kept for latter portions of the work. It is unfortunate that an analysis of the Cope rearrangement transition state and activation energy was not attempted at higher level of theory. In the first Diels-Alder reaction an analysis of the transition state structure and orbitals was not attempted. (Also the butadiene optimization with DFT seems asymmetric and is referred to as transition state?) For the Cyclohexa-1,3-diene and maleic anhydride reaction, little comparison is made between transition states of the 2 conformers. (Structural comparison can be done from the log file and does not require the checkpoint file). Jbettenc (talk) 11:48, 4 December 2014 (UTC)