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3D Printing Tutorial
Please click on the links below to download the tutorial
Phalgun Lolur, Richard Dawes, 3D Printing of Molecular Potential Energy Surface Models, J. Chem. Ed. 91, 1181 (2014).
Plastic models of two potentials for ozone illustrate the effects of a submerged barrier.
The upper model of the 2013 PES by Ayouz and Babikov features a spurious submerged reef which dramatically affects the low temperature dynamics and kinetics (and for the model, traps the marble)
For more information on the electronic structure of ozone, the origin of the spurious reef and our new PES see:
Richard Dawes, Phalgun Lolur, Jianyi Ma and Hua Guo, Highly Accurate Ozone Formation Potential and Implications for Kinetics, J. Chem. Phys. 135, 081102 (2011).
Richard Dawes, Phalgun Lolur, Anyang Li, Bin Jiang and Hua Guo, An accurate global potential energy surface for the ground state of ozone, J. Chem. Phys. 139, 201103 (2013).