View source for Rep:Mod:acs2014mk1

== Year 3 Computational Experiment ==
=== Cyclopentdiene dimer ===
2D molecular structures for the 2 starting diene stereoisomers and the 2 x monoene hydrogenated products were created in ChemDraw 14:
[[File:acs1.cdxml]]

'''For 1:'''
bond stretching = TBD kcal/mol
angle bending = TBD kcal/mol
stretch bending = TBD kcal/mol
TOTAL energy TBD kcal/mol

'''For 2:'''
bond stretching = 3.54460 kcal/mol
angle bending = 30.78303 kcal/mol
stretch bending = -2.03738 kcal/mol
TOTAL energy 55.38144 kcal/mol