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Intermolecular
An intermolecular force (IMF; also secondary force) is the force that mediates interaction between molecules, including the electromagnetic forces of attraction or repulsion which act between atoms and other types of neighbouring particles (e.g. atoms or ions). Intermolecular forces are weak relative to intramolecular forces – the forces which hold a molecule together. For example, the covalent bond, involving sharing electron pairs between atoms, is much stronger than the forces present between neighboring molecules. Both sets of forces are essential parts of force fields frequently used in molecular mechanics. The first reference to the nature of microscopic forces is found in Alexis Clairaut's work ''Théorie de la figure de la Terre,'' published in Paris in 1743. Other scientists who have contributed to the investigation of microscopic forces include: Laplace, Gauss, Maxwell, Boltzmann and Pauling. Attractive intermolecular forces are categorized into the following type ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Lennard-Jones Potential
In computational chemistry, molecular physics, and physical chemistry, the Lennard-Jones potential (also termed the LJ potential or 12-6 potential; named for John Lennard-Jones) is an intermolecular pair potential. Out of all the intermolecular potentials, the Lennard-Jones potential is probably the one that has been the most extensively studied. It is considered an archetype model for simple yet realistic intermolecular interactions. The Lennard-Jones potential is often used as a building block in molecular models (a.k.a. force fields) for more complex substances. Many studies of the idealized "Lennard-Jones substance" use the potential to understand the physical nature of matter. Overview The Lennard-Jones potential is a simple model that still manages to describe the essential features of interactions between simple atoms and molecules: Two interacting particles repel each other at very close distance, attract each other at moderate distance, and eventually stop intera ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Force Field (chemistry)
In the context of chemistry, molecular physics, physical chemistry, and molecular modelling, a force field is a computational model that is used to describe the forces between atoms (or collections of atoms) within molecules or between molecules as well as in crystals. Force fields are a variety of interatomic potentials. More precisely, the force field refers to the functional form and parameter sets used to calculate the potential energy of a system on the atomistic level. Force fields are usually used in molecular dynamics or Monte Carlo simulations. The parameters for a chosen energy function may be derived from classical laboratory experiment data, calculations in quantum mechanics, or both. Force fields utilize the same concept as force fields in classical physics, with the main difference being that the force field parameters in chemistry describe the energy landscape on the atomistic level. From a force field, the acting forces on every particle are derived as a g ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Hydrogen Bond
In chemistry, a hydrogen bond (H-bond) is a specific type of molecular interaction that exhibits partial covalent character and cannot be described as a purely electrostatic force. It occurs when a hydrogen (H) atom, Covalent bond, covalently bonded to a more Electronegativity, electronegative donor atom or group (Dn), interacts with another electronegative atom bearing a lone pair of electrons—the hydrogen bond acceptor (Ac). Unlike simple Dipole–dipole attraction, dipole–dipole interactions, hydrogen bonding arises from charge transfer (nB → σ*AH), Atomic orbital, orbital interactions, and quantum mechanical Delocalized electron, delocalization, making it a resonance-assisted interaction rather than a mere electrostatic attraction. The general notation for hydrogen bonding is Dn−H···Ac, where the solid line represents a polar covalent bond, and the dotted or dashed line indicates the hydrogen bond. The most frequent donor and acceptor atoms are nitrogen (N), oxyg ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Mie Potential
The Mie potential is an interaction potential describing the interactions between particles on the atomic level. It is mostly used for describing intermolecular interactions, but at times also for modeling intramolecular interaction, i.e. bonds. The Mie potential is named after the German physicist Gustav Mie; yet the history of intermolecular potentials is more complicated. The Mie potential is the generalized case of the Lennard-Jones (LJ) potential, which is perhaps the most widely used pair potential. The Mie potential V(r) is a function of r, the distance between two particles, and is written as V(r) = C \, \varepsilon \left \left(\frac \right)^- \left( \frac\right)^m \right,~~~~~~ (1) with C = \frac \left( \frac\right)^ . The Lennard-Jones potential corresponds to the special case where n=12 and m=6 in Eq. (1). In Eq. (1), \varepsilon is the dispersion energy, and \sigma indicates the distance at which V = 0 , which is sometimes called the "collision radius." The p ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
London Dispersion Force
London dispersion forces (LDF, also known as dispersion forces, London forces, instantaneous dipole–induced dipole forces, fluctuating induced dipole bonds or loosely as van der Waals forces) are a type of intermolecular force acting between atoms and molecules that are normally electrically symmetric; that is, the electrons are symmetrically distributed with respect to the nucleus. They are part of the van der Waals forces. The LDF is named after the German physicist Fritz London. They are the weakest of the intermolecular forces. Introduction The electron distribution around an atom or molecule undergoes fluctuations in time. These fluctuations create instantaneous electric fields which are felt by other nearby atoms and molecules, which in turn adjust the spatial distribution of their own electrons. The net effect is that the fluctuations in electron positions in one atom induce a corresponding redistribution of electrons in other atoms, such that the electron motions be ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Viscosity
Viscosity is a measure of a fluid's rate-dependent drag (physics), resistance to a change in shape or to movement of its neighboring portions relative to one another. For liquids, it corresponds to the informal concept of ''thickness''; for example, syrup has a higher viscosity than water. Viscosity is defined scientifically as a force multiplied by a time divided by an area. Thus its SI units are newton-seconds per metre squared, or pascal-seconds. Viscosity quantifies the internal friction, frictional force between adjacent layers of fluid that are in relative motion. For instance, when a viscous fluid is forced through a tube, it flows more quickly near the tube's center line than near its walls. Experiments show that some stress (physics), stress (such as a pressure difference between the two ends of the tube) is needed to sustain the flow. This is because a force is required to overcome the friction between the layers of the fluid which are in relative motion. For a tube ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Van Der Waals Force
In molecular physics and chemistry, the van der Waals force (sometimes van der Waals' force) is a distance-dependent interaction between atoms or molecules. Unlike ionic or covalent bonds, these attractions do not result from a chemical electronic bond; they are comparatively weak and therefore more susceptible to disturbance. The van der Waals force quickly vanishes at longer distances between interacting molecules. Named after Dutch physicist Johannes Diderik van der Waals, the van der Waals force plays a fundamental role in fields as diverse as supramolecular chemistry, structural biology, polymer science, nanotechnology, surface science, and condensed matter physics. It also underlies many properties of organic compounds and molecular solids, including their solubility in polar and non-polar media. If no other force is present, the distance between atoms at which the force becomes repulsive rather than attractive as the atoms approach one another is called the van der ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Intramolecular Force
An intramolecular force (from Latin ''intra-'' 'within') is any force that binds together the atoms making up a molecule. Intramolecular forces are stronger than the Intermolecular force, intermolecular forces that govern the interactions between molecules. Types The classical model identifies three main types of chemical bonds — ionic, covalent, and metallic — distinguished by the degree of charge separation between participating atoms. The characteristics of the bond formed can be predicted by the properties of constituent atoms, namely electronegativity. They differ in the magnitude of their Bond-dissociation energy, bond enthalpies, a measure of bond strength, and thus affect the physical and chemical properties of compounds in different ways. % of ionic character is directly proportional difference in electronegativity of bonded atom. Ionic bond An ionic bond can be approximated as complete transfer of one or more valence electrons of atoms participating in bond formati ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Cation–cation Bond
Cation-cation interactions often occur between molecular cations of transition metals and f-elements (so-called yl cations). They are distinguished as a separate type of intermolecular interactions, since without taking them into account, cations usually repel each other in accordance with Coulomb's law. Cation-cation interactions in f-elements Of particular interest are cation-cation interactions between actinide cations - uranium, in the form of uranyl UO22+, neptunium in the form of neptunoyl NpO22+, plutonium and americium, which are essentially a manifestation of specific complex formation. They are a special case of intermolecular interactions that occur in molecular ions. It was first discovered when studying the behavior of netunium(V) compounds in solutions of uranyl perchlorate. Great impact to crystallochemistry of cation-cation bonds was made by Mikhail Grigoriev. The cation-cation interaction pO2sup>+ determines the crystal structure of Np(V) compounds, and the ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Electromagnetism
In physics, electromagnetism is an interaction that occurs between particles with electric charge via electromagnetic fields. The electromagnetic force is one of the four fundamental forces of nature. It is the dominant force in the interactions of atoms and molecules. Electromagnetism can be thought of as a combination of electrostatics and magnetism, which are distinct but closely intertwined phenomena. Electromagnetic forces occur between any two charged particles. Electric forces cause an attraction between particles with opposite charges and repulsion between particles with the same charge, while magnetism is an interaction that occurs between charged particles in relative motion. These two forces are described in terms of electromagnetic fields. Macroscopic charged objects are described in terms of Coulomb's law for electricity and Ampère's force law for magnetism; the Lorentz force describes microscopic charged particles. The electromagnetic force is responsible for ma ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
