Molecular dynamicsMolecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields.
Existential quantificationIn predicate logic, an existential quantification is a type of quantifier, a logical constant which is interpreted as "there exists", "there is at least one", or "for some". It is usually denoted by the logical operator symbol ∃, which, when used together with a predicate variable, is called an existential quantifier ("∃x" or "∃(x)" or "(∃x)"). Existential quantification is distinct from universal quantification ("for all"), which asserts that the property or relation holds for all members of the domain.
Salt (chemistry)In chemistry, a salt is a chemical compound consisting of an ionic assembly of positively charged cations and negatively charged anions, which results in a compound with no net electric charge. A common example is table salt, with positively charged sodium ions and negatively charged chloride ions. The component ions in a salt compound can be either inorganic, such as chloride (Cl−), or organic, such as acetate (CH3COO−). Each ion can be either monatomic, such as fluoride (F−), or polyatomic, such as sulfate (SO42−).
Atomic radiusThe atomic radius of a chemical element is a measure of the size of its atom, usually the mean or typical distance from the center of the nucleus to the outermost isolated electron. Since the boundary is not a well-defined physical entity, there are various non-equivalent definitions of atomic radius. Four widely used definitions of atomic radius are: Van der Waals radius, ionic radius, metallic radius and covalent radius.
Branching quantifierIn logic a branching quantifier, also called a Henkin quantifier, finite partially ordered quantifier or even nonlinear quantifier, is a partial ordering of quantifiers for Q ∈ {∀,∃}. It is a special case of generalized quantifier. In classical logic, quantifier prefixes are linearly ordered such that the value of a variable ym bound by a quantifier Qm depends on the value of the variables y1, ..., ym−1 bound by quantifiers Qy1, ..., Qym−1 preceding Qm. In a logic with (finite) partially ordered quantification this is not in general the case.
Uniqueness quantificationIn mathematics and logic, the term "uniqueness" refers to the property of being the one and only object satisfying a certain condition. This sort of quantification is known as uniqueness quantification or unique existential quantification, and is often denoted with the symbols "∃!" or "∃=1". For example, the formal statement may be read as "there is exactly one natural number such that ". The most common technique to prove the unique existence of a certain object is to first prove the existence of the entity with the desired condition, and then to prove that any two such entities (say, and ) must be equal to each other (i.
Amazon KindleAmazon Kindle is a series of e-readers designed and marketed by Amazon. Amazon Kindle devices enable users to browse, buy, download, and read e-books, newspapers, magazines and other digital media via wireless networking to the Kindle Store. The hardware platform, which Amazon subsidiary Lab126 developed, began as a single device in 2007. Currently, it comprises a range of devices, including e-readers with E Ink electronic paper displays and Kindle applications on all major computing platforms.
Ionic radiusIonic radius, rion, is the radius of a monatomic ion in an ionic crystal structure. Although neither atoms nor ions have sharp boundaries, they are treated as if they were hard spheres with radii such that the sum of ionic radii of the cation and anion gives the distance between the ions in a crystal lattice. Ionic radii are typically given in units of either picometers (pm) or angstroms (Å), with 1 Å = 100 pm. Typical values range from 31 pm (0.3 Å) to over 200 pm (2 Å).
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.
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.
Protein–protein interactionProtein–protein interactions (PPIs) are physical contacts of high specificity established between two or more protein molecules as a result of biochemical events steered by interactions that include electrostatic forces, hydrogen bonding and the hydrophobic effect. Many are physical contacts with molecular associations between chains that occur in a cell or in a living organism in a specific biomolecular context. Proteins rarely act alone as their functions tend to be regulated.
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.
