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Determining Wavefunction of Noncyclic Polyenes
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| Organization: | North Carolina School of Science & Mathematics |
| Department: | Chemistry Department |
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College
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This notebook is used to teach basics of Hückel molecular orbital (MO) theory to high school students in the course "Introduction to Computational Chemistry" and the course "Research Experience in Mathematical Chemistry" at the North Carolina School of Science and Mathematics, Durham NC.
Students can explore the wavefunctions, delocalization energies, and orthonormality of each of the following noncyclic polyenes: - Ethene
- Allyl
- Butadiene
- Hexatriene
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Computational Chemistry, Mathematical Chemistry, Noncyclic Polyenes, Hückel Molecular Orbital Theory, Wavefunctions, Delocalization Energies, Orthonormality, Ethene, Allyl, Butadiene, Hexatriene
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| HMO_Polycyclics_Lab_Delocalization.nb (63.7 KB) - Mathematica Notebook |
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