Basis Sets II: Types and Accuracy

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Explores types of basis sets, polarization, diffuse functions, Pople basis sets, and convergence in computational chemistry.

Explores basis sets in quantum chemistry, covering STOs, GTOs, and contracted Gaussian-Type Orbitals.

Explores the solution of the Schrödinger equation for many-electron systems using basis sets and the concept of basis functions.

Explores the Hartree-Fock method, basis sets, Slater determinants, and quantum chemistry concepts like spin contamination and Hund's rule.

Explores quantum chemical electronic structure methods, including basis sets and the Hartree-Fock method.

Series covers diverse computational chemistry approaches and their applications in organic chemistry.

Explores molecular polarity, net dipole moments, and Valence Bond Theory.

Explores molecular orbitals in conjugated systems, discussing bond lengths, energy barriers, Hückel theory, and aromaticity.

Discusses molecular orbitals in π-conjugated systems, focusing on their properties and electronic interactions.

Explores molecular orbitals, hybridization, sigma and pi bonds, and resonance in organic chemistry.