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There are various types of potential energy, each associated with a particular type of force. For example, the work of an elastic force is called elastic potential energy; work of the gravitational force is called gravitational potential energy; work of the Coulomb force is called electric potential energy; work of the strong nuclear force or weak nuclear force acting on the baryon charge is ...
In simplest terms, a potential energy surface or PES is a mathematical or graphical representation of the relation between energy of a molecule and its geometry. The methods for describing the potential energy are broken down into a classical mechanics interpretation (molecular mechanics) and a quantum mechanical interpretation.
Another class of machine-learned interatomic potential is the Gaussian approximation potential (GAP), [87] [88] [89] which combines compact descriptors of local atomic environments [90] with Gaussian process regression [91] to machine learn the potential energy surface of a given system.
If a diatomic molecule consists of two atoms of the same element, such as hydrogen (H 2) or oxygen (O 2), then it is said to be homonuclear. Otherwise, if a diatomic molecule consists of two different atoms, such as carbon monoxide (CO) or nitric oxide (NO), the molecule is said to be heteronuclear. The bond in a homonuclear diatomic molecule ...
The Morse potential, named after physicist Philip M. Morse, is a convenient interatomic interaction model for the potential energy of a diatomic molecule.It is a better approximation for the vibrational structure of the molecule than the quantum harmonic oscillator because it explicitly includes the effects of bond breaking, such as the existence of unbound states.
i.e., the external potential is the sum of electric potential, gravitational potential, etc. (where q and m are the charge and mass of the species, V ele and h are the electric potential [15] and height of the container, respectively, and g is the acceleration due to gravity). The internal chemical potential includes everything else besides the ...
The activated complex is an arrangement of atoms in an arbitrary region near the saddle point of a potential energy surface. [1] The region represents not one defined state, but a range of unstable configurations that a collection of atoms pass through between the reactants and products of a reaction. Activated complexes have partial reactant ...
Neurons, cells of the renal medulla and erythrocytes depend on glucose for their energy production. [70] In adult humans, there is about 18 g (0.63 oz) of glucose, [71] of which about 4 g (0.14 oz) is present in the blood. [72] Approximately 180–220 g (6.3–7.8 oz) of glucose is produced in the liver of an adult in 24 hours. [71]