Lecture

Quantum Chemistry

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Description

This lecture covers topics related to Quantum Chemistry, including SP Hybridization, orbital conservation, and hybrid orbitals. It discusses the normalization of orbitals, bond orders, and energy levels. The instructor explains the concepts through detailed examples and equations.

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Related concepts (32)

Orbital hybridisation

In chemistry, orbital hybridisation (or hybridization) is the concept of mixing atomic orbitals to form new hybrid orbitals (with different energies, shapes, etc., than the component atomic orbitals) suitable for the pairing of electrons to form chemical bonds in valence bond theory. For example, in a carbon atom which forms four single bonds the valence-shell s orbital combines with three valence-shell p orbitals to form four equivalent sp3 mixtures in a tetrahedral arrangement around the carbon to bond to four different atoms.

Quantum chemistry

Quantum chemistry, also called molecular quantum mechanics, is a branch of physical chemistry focused on the application of quantum mechanics to chemical systems, particularly towards the quantum-mechanical calculation of electronic contributions to physical and chemical properties of molecules, materials, and solutions at the atomic level. These calculations include systematically applied approximations intended to make calculations computationally feasible while still capturing as much information about important contributions to the computed wave functions as well as to observable properties such as structures, spectra, and thermodynamic properties.

Computational chemistry

Computational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of molecules, groups of molecules, and solids. It is essential because, apart from relatively recent results concerning the hydrogen molecular ion (dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form.

Ab initio quantum chemistry methods

Ab initio quantum chemistry methods are computational chemistry methods based on quantum chemistry. The term ab initio was first used in quantum chemistry by Robert Parr and coworkers, including David Craig in a semiempirical study on the excited states of benzene. The background is described by Parr. Ab initio means "from first principles" or "from the beginning", implying that the only inputs into an ab initio calculation are physical constants.

SpaceX

Space Exploration Technologies Corp., doing business as SpaceX, is an American spacecraft manufacturer, launch service provider and satellite communications company headquartered in Hawthorne, California. The company was founded in 2002 by Elon Musk with the goal of reducing space transportation costs and to colonize Mars. The company manufactures the Falcon 9, Falcon Heavy and Starship heavy-lift launch vehicles, the Cargo Dragon and Crew Dragon spacecraft, the Starlink mega-constellation satellite and rocket engines.

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