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In chemistry, polyvalency (or polyvalence, multivalency) is the property of molecules and larger species, such as antibodies, medical drugs, and even nanoparticles surface-functionalized with ligands, like spherical nucleic acids, that exhibit more than one supramolecular interaction.
Molecular binding is an attractive interaction between two molecules that results in a stable association in which the molecules are in close proximity to each other. It is formed when atoms or molecules bind together by sharing of electrons.
Electron binding energy; Ionization energy Electron binding energy, more commonly known as ionization energy, [3] is a measure of the energy required to free an electron from its atomic orbital or from a solid. The electron binding energy derives from the electromagnetic interaction of the electron with the nucleus and the other electrons of ...
In complexes of metals with these d-electron configurations, the non-bonding and anti-bonding molecular orbitals can be filled in two ways: one in which as many electrons as possible are put in the non-bonding orbitals before filling the anti-bonding orbitals, and one in which as many unpaired electrons as possible are put in. The former case ...
An analytical solution to the Poisson–Boltzmann equation can be used to describe an electron-electron interaction in a metal-insulator semiconductor (MIS). [16] This can be used to describe both time and position dependence of dissipative systems such as a mesoscopic system. This is done by solving the Poisson–Boltzmann equation ...
In chemistry, an electron pair or Lewis pair consists of two electrons that occupy the same molecular orbital but have opposite spins. Gilbert N. Lewis introduced the concepts of both the electron pair and the covalent bond in a landmark paper he published in 1916. [1] [2]
Hydrogen has only one valence electron, but it can form bonds with more than one atom. In the bifluoride ion ([HF 2] −), for example, it forms a three-center four-electron bond with two fluoride atoms: [F−H F − ↔ F − H−F] Another example is the three-center two-electron bond in diborane (B 2 H 6).
CP2K is a freely available quantum chemistry and solid state physics program package, written in Fortran 2008, to perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems.