Molecular orbitalIn chemistry, a molecular orbital (ɒrbədl) is a mathematical function describing the location and wave-like behavior of an electron in a molecule. This function can be used to calculate chemical and physical properties such as the probability of finding an electron in any specific region. The terms atomic orbital and molecular orbital were introduced by Robert S. Mulliken in 1932 to mean one-electron orbital wave functions. At an elementary level, they are used to describe the region of space in which a function has a significant amplitude.
Molecular orbital theoryIn chemistry, molecular orbital theory (MO theory or MOT) is a method for describing the electronic structure of molecules using quantum mechanics. It was proposed early in the 20th century. In molecular orbital theory, electrons in a molecule are not assigned to individual chemical bonds between atoms, but are treated as moving under the influence of the atomic nuclei in the whole molecule. Quantum mechanics describes the spatial and energetic properties of electrons as molecular orbitals that surround two or more atoms in a molecule and contain valence electrons between atoms.
Orbital hybridisationIn 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.
Linear combination of atomic orbitalsA linear combination of atomic orbitals or LCAO is a quantum superposition of atomic orbitals and a technique for calculating molecular orbitals in quantum chemistry. In quantum mechanics, electron configurations of atoms are described as wavefunctions. In a mathematical sense, these wave functions are the basis set of functions, the basis functions, which describe the electrons of a given atom. In chemical reactions, orbital wavefunctions are modified, i.e.
Antibonding molecular orbitalIn theoretical chemistry, an antibonding orbital is a type of molecular orbital that weakens the chemical bond between two atoms and helps to raise the energy of the molecule relative to the separated atoms. Such an orbital has one or more nodes in the bonding region between the nuclei. The density of the electrons in the orbital is concentrated outside the bonding region and acts to pull one nucleus away from the other and tends to cause mutual repulsion between the two atoms.
Nuclear reactorA nuclear reactor is a device used to initiate and control a fission nuclear chain reaction or nuclear fusion reactions. Nuclear reactors are used at nuclear power plants for electricity generation and in nuclear marine propulsion. Heat from nuclear fission is passed to a working fluid (water or gas), which in turn runs through steam turbines. These either drive a ship's propellers or turn electrical generators' shafts. Nuclear generated steam in principle can be used for industrial process heat or for district heating.
Small modular reactorSmall modular reactors (SMRs) are a proposed class of nuclear fission reactors, smaller than conventional nuclear reactors, which can be built in one location (such as a factory), then shipped, commissioned, and operated at a separate site. The term SMR refers to the size, capacity and modular construction only, not to the reactor type and the nuclear process which is applied. Designs range from scaled down versions of existing designs to generation IV designs.
Natural nuclear fission reactorA natural nuclear fission reactor is a uranium deposit where self-sustaining nuclear chain reactions occur. The conditions under which a natural nuclear reactor could exist had been predicted in 1956 by Paul Kuroda. The remnants of an extinct or fossil nuclear fission reactor, where self-sustaining nuclear reactions have occurred in the past, can be verified by analysis of isotope ratios of uranium and of the fission products (and the stable daughter nuclides of those fission products).
Molecular orbital diagramA molecular orbital diagram, or MO diagram, is a qualitative descriptive tool explaining chemical bonding in molecules in terms of molecular orbital theory in general and the linear combination of atomic orbitals (LCAO) method in particular. A fundamental principle of these theories is that as atoms bond to form molecules, a certain number of atomic orbitals combine to form the same number of molecular orbitals, although the electrons involved may be redistributed among the orbitals.
Light-water reactorThe light-water reactor (LWR) is a type of thermal-neutron reactor that uses normal water, as opposed to heavy water, as both its coolant and neutron moderator; furthermore a solid form of fissile elements is used as fuel. Thermal-neutron reactors are the most common type of nuclear reactor, and light-water reactors are the most common type of thermal-neutron reactor. There are three varieties of light-water reactors: the pressurized water reactor (PWR), the boiling water reactor (BWR), and (most designs of) the supercritical water reactor (SCWR).
Nuclear reactor physicsNuclear reactor physics is the field of physics that studies and deals with the applied study and engineering applications of chain reaction to induce a controlled rate of fission in a nuclear reactor for the production of energy. Most nuclear reactors use a chain reaction to induce a controlled rate of nuclear fission in fissile material, releasing both energy and free neutrons.
Generation IV reactorGeneration IV reactors (Gen IV) are nuclear reactor design technologies that are envisioned as successors of generation III reactors. The Generation IV International Forum (GIF) - an international organization that coordinates the development of generation IV reactors - specifically selected six reactor technologies as candidates for generation IV reactors. The designs target improved safety, sustainability, efficiency, and cost.
Bonding molecular orbitalIn theoretical chemistry, the bonding orbital is used in molecular orbital (MO) theory to describe the attractive interactions between the atomic orbitals of two or more atoms in a molecule. In MO theory, electrons are portrayed to move in waves. When more than one of these waves come close together, the in-phase combination of these waves produces an interaction that leads to a species that is greatly stabilized. The result of the waves’ constructive interference causes the density of the electrons to be found within the binding region, creating a stable bond between the two species.
Organic chemistryOrganic chemistry is a subdiscipline within chemistry involving the scientific study of the structure, properties, and reactions of organic compounds and organic materials, i.e., matter in its various forms that contain carbon atoms. Study of structure determines their structural formula. Study of properties includes physical and chemical properties, and evaluation of chemical reactivity to understand their behavior.
Gaussian orbitalIn computational chemistry and molecular physics, Gaussian orbitals (also known as Gaussian type orbitals, GTOs or Gaussians) are functions used as atomic orbitals in the LCAO method for the representation of electron orbitals in molecules and numerous properties that depend on these. The use of Gaussian orbitals in electronic structure theory (instead of the more physical Slater-type orbitals) was first proposed by Boys in 1950.
Generation III reactorGeneration III reactors, or Gen III reactors, are a class of nuclear reactors designed to succeed Generation II reactors, incorporating evolutionary improvements in design. These include improved fuel technology, higher thermal efficiency, significantly enhanced safety systems (including passive nuclear safety), and standardized designs intended to reduce maintenance and capital costs. They are promoted by the Generation IV International Forum (GIF).
Kinetic isotope effectIn physical organic chemistry, a kinetic isotope effect (KIE) is the change in the reaction rate of a chemical reaction when one of the atoms in the reactants is replaced by one of its isotopes. Formally, it is the ratio of rate constants for the reactions involving the light (kL) and the heavy (kH) isotopically substituted reactants (isotopologues): This change in reaction rate is a quantum mechanical effect that primarily results from heavier isotopologues having lower vibrational frequencies compared to their lighter counterparts.
Physical organic chemistryPhysical organic chemistry, a term coined by Louis Hammett in 1940, refers to a discipline of organic chemistry that focuses on the relationship between chemical structures and reactivity, in particular, applying experimental tools of physical chemistry to the study of organic molecules. Specific focal points of study include the rates of organic reactions, the relative chemical stabilities of the starting materials, reactive intermediates, transition states, and products of chemical reactions, and non-covalent aspects of solvation and molecular interactions that influence chemical reactivity.
Nuclear decommissioningNuclear decommissioning is the process leading to the irreversible complete or partial closure of a nuclear facility, usually a nuclear reactor, with the ultimate aim at termination of the operating licence. The process usually runs according to a decommissioning plan, including the whole or partial dismantling and decontamination of the facility, ideally resulting in restoration of the environment up to greenfield status. The decommissioning plan is fulfilled when the approved end state of the facility has been reached.
Organic compoundIn chemistry, many authors consider an organic compound to be any chemical compound that contains carbon-hydrogen or carbon-carbon bonds, however, some authors consider an organic compound to be any chemical compound that contains carbon. The definition of "organic" versus "inorganic" varies from author to author, and is a topic of debate. For example, methane () is considered organic, but whether some other carbon-containing compounds are organic or inorganic varies from author to author, for example halides of carbon without carbon-hydrogen and carbon-carbon bonds (e.
