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Lecture
Basis Sets: Types and Functional Forms
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Molecular Structure: Intramolecular Electron Delocalization
Discusses molecular structure and intramolecular electron delocalization, focusing on quantum mechanics and the transition from atomic to molecular orbitals.
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Covers the electronic structure in quantum physics, focusing on the Hamiltonian operator and the concept of orbitals.
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Explores the symmetry analysis of a deuterated metal hydride complex and its molecular orbitals.
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Explores molecular orbitals, hybridization, sigma and pi bonds, and resonance in organic chemistry.
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Explores atomic orbitals, molecular interactions, and overlap integrals.
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Delves into ligand field theory, crystal field splitting, and molecular orbitals in transition metal complexes.
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Explores the transition from atomic to molecular orbitals, covering quantum systems, approximations, valence electrons, and covalent bonds.
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Explores Basis Set Superposition Error in quantum chemistry calculations and the Counter-Poise correction to estimate it.