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Solid State Chemistry Chapter 4 Molecular Structure
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AGENDA Molecular Orbital Theory Homonuclear diatomic molecules
Heteronuclear diatomic molecules Variation principle Polyatomic molecules Huckel’s theory
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The Structures of Diatomic Molecules
The hydrogen and helium molecules
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Bond Order: b
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Period 2 Diatomic Molecules
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Orbitals
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Orbitals
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The Overlap Integral: S
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The Structures of Homonuclear Diatomic Molecules
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Heteronuclear Diatomic Molecules
Polar bonds
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Electronegativity:
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The Variation Principle
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The Variation Principle
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Two Simple Cases
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Molecular Orbitals for Polyatomic Systems
Hűckel approximation (Erich Huckel (1931)) Ethene and frontier orbitals
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Hűckel approximation
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Hűckel approximation
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The matrix formulation of the Hűckel method
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Butadiene and π-electron binding energy
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Butadiene and π-electron binding energy
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Butadiene and π-electron binding energy
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Benzene and Aromatic Stability
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Benzene and Aromatic Stability
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Self-consistent Field Calculation
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Formation of Bands
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Formation of Bands
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Short Summary Molecular Orbital Theory
1. Homonuclear Diatomic Molecules 2. Overlap Integral 3. Heteronuclear Diatomic Molecules 4. Variation Principle 5. Molecular Orbitals for Polyatomic Systems 6. Huckel Theory 7. Computational Chemistry HW#4 Exe. 11.1b, 11.4a, 11.6b, 11.9b, 11.11b, 11.12b
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