exercises:2014_ethz_mmm:reaction_energy
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Reaction Energy
In this exercise, you will calculate the reaction energy for the mehane combustion reaction:
Ground state oxygen, O2, is a triplet diradical, a property which can explain why liquid oxygen is paramagnetic and attracted to the poles of a magnet. For this reason, to get the energy of the O2 molecule, a LSD calculation is required.
exercises/2014_ethz_mmm/reaction_energy.1395836709.txt.gz · Last modified: 2020/08/21 10:14 (external edit)