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15 relations: Antibonding molecular orbital, Atomic orbital, Basis set (chemistry), Computational chemistry, Covalent bond, Double bond, IUPAC books, Lewis structure, Modern valence bond theory, Molecular orbital, Molecular orbital theory, Orthonormality, Per-Olov Löwdin, Quantum chemistry, Resonance (chemistry).
Antibonding molecular orbital
In chemical bonding theory, an antibonding orbital is a type of molecular orbital (MO) that weakens the bond between two atoms and helps to raise the energy of the molecule relative to the separated atoms.
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Atomic orbital
In quantum mechanics, an atomic orbital is a mathematical function that describes the wave-like behavior of either one electron or a pair of electrons in an atom.
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Basis set (chemistry)
A basis set in theoretical and computational chemistry is a set of functions (called basis functions) that is used to represent the electronic wave function in the Hartree–Fock method or density-functional theory in order to turn the partial differential equations of the model into algebraic equations suitable for efficient implementation on a computer.
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Computational chemistry
Computational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems.
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Covalent bond
A covalent bond, also called a molecular bond, is a chemical bond that involves the sharing of electron pairs between atoms.
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Double bond
A double bond in chemistry is a chemical bond between two chemical elements involving four bonding electrons instead of the usual two.
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IUPAC books
The International Union of Pure and Applied Chemistry publishes many books, which contain its complete list of definitions.
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Lewis structure
Lewis structures, also known as Lewis dot diagrams, Lewis dot formulas, Lewis dot structures, electron dot structures, or Lewis electron dot structures (LEDS), are diagrams that show the bonding between atoms of a molecule and the lone pairs of electrons that may exist in the molecule.
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Modern valence bond theory
Modern valence bond theory is the application of valence bond theory, with computer programs that are competitive in accuracy and economy with programs for the Hartree–Fock method and other molecular orbital based methods.
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Molecular orbital
In chemistry, a molecular orbital (MO) is a mathematical function describing the wave-like behavior of an electron in a molecule.
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Molecular orbital theory
In chemistry, molecular orbital (MO) theory is a method for determining molecular structure in which electrons are not assigned to individual bonds between atoms, but are treated as moving under the influence of the nuclei in the whole molecule.
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Orthonormality
In linear algebra, two vectors in an inner product space are orthonormal if they are orthogonal and unit vectors.
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Per-Olov Löwdin
Per-Olov Löwdin (October 28, 1916 – October 6, 2000) was a Swedish physicist, professor at the University of Uppsala from 1960 to 1983, and in parallel at the University of Florida until 1993.
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Quantum chemistry
Quantum chemistry is a branch of chemistry whose primary focus is the application of quantum mechanics in physical models and experiments of chemical systems.
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Resonance (chemistry)
In chemistry, resonance or mesomerism is a way of describing delocalized electrons within certain molecules or polyatomic ions where the bonding cannot be expressed by one single Lewis structure.
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