View source for Rep:Module 1: Tom Campling

= The Basic Techniques of Molecular Mechanics and Semi-empirical Molecular Orbital Methods for Structural and Spectroscopic Evaluation =



Minimisation for exo product 1: 31.8779 kcal/mol  More accurate: 31.8764 kcal/mol

Minimisation for endo product 2: 34.0073 kcal/mol  More accurate: 33.9975 kcal/mol







Minimisation for 3: 34.9643 kcal/mol

Minimisation for 4:  31.1520 kcal/mol

<jmol>
<jmolAppletButton>
<uploadedFileContents>TC_Cyclopentadiene_exo_1.mol/uploadedFileContents>
<text>Molecule 1</text>
</jmolAppletButton>
</jmol>