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Stockmayer Potential
The Stockmayer potential is a mathematical model for representing the interactions between pairs of atoms or molecules. It is defined as a Lennard-Jones potential with a point electric dipole moment The electric dipole moment is a measure of the separation of positive and negative electrical charges within a system: that is, a measure of the system's overall Chemical polarity, polarity. The International System of Units, SI unit for electric .... A Stockmayer liquid consists of a collection of spheres with point dipoles embedded at the centre of each. These spheres interact both by Lennard-Jones and dipolar interactions. In the absence of the point dipoles, the spheres face no rotational friction and the translational dynamics of such LJ spheres have been studied in detail. This system, therefore, provides a simple model where the only source of rotational friction is dipolar interactions. The interaction potential may be written as V(r) = 4 \varepsilon_\left left(\frac\right ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] [Amazon] |
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Atoms
Atoms are the basic particles of the chemical elements. An atom consists of a nucleus of protons and generally neutrons, surrounded by an electromagnetically bound swarm of electrons. The chemical elements are distinguished from each other by the number of protons that are in their atoms. For example, any atom that contains 11 protons is sodium, and any atom that contains 29 protons is copper. Atoms with the same number of protons but a different number of neutrons are called isotopes of the same element. Atoms are extremely small, typically around 100 picometers across. A human hair is about a million carbon atoms wide. Atoms are smaller than the shortest wavelength of visible light, which means humans cannot see atoms with conventional microscopes. They are so small that accurately predicting their behavior using classical physics is not possible due to quantum effects. More than 99.94% of an atom's mass is in the nucleus. Protons have a positive electric charge a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] [Amazon] |
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Molecules
A molecule is a group of two or more atoms that are held together by attractive forces known as chemical bonds; depending on context, the term may or may not include ions that satisfy this criterion. In quantum physics, organic chemistry, and biochemistry, the distinction from ions is dropped and ''molecule'' is often used when referring to polyatomic ions. A molecule may be homonuclear, that is, it consists of atoms of one chemical element, e.g. two atoms in the oxygen molecule (O2); or it may be heteronuclear, a chemical compound composed of more than one element, e.g. water (two hydrogen atoms and one oxygen atom; H2O). In the kinetic theory of gases, the term ''molecule'' is often used for any gaseous particle regardless of its composition. This relaxes the requirement that a molecule contains two or more atoms, since the noble gases are individual atoms. Atoms and complexes connected by non-covalent interactions, such as hydrogen bonds or ionic bonds, are ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] [Amazon] |
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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] [Amazon] |
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Electric Dipole Moment
The electric dipole moment is a measure of the separation of positive and negative electrical charges within a system: that is, a measure of the system's overall Chemical polarity, polarity. The International System of Units, SI unit for electric dipole moment is the coulomb-metre (C⋅m). The debye (D) is another unit of measurement used in atomic physics and chemistry. Theoretically, an electric dipole is defined by the first-order term of the multipole expansion; it consists of two equal and opposite charges that are infinitesimally close together, although real dipoles have separated charge.Many theorists predict elementary particles can have very tiny electric dipole moments, possibly without separated charge. Such small dipoles make no difference to everyday physics, and have not yet been observed (see ''Electron electric dipole moment''). However, when making measurements at a distance much larger than the charge separation, the dipole gives a good approximation of the actua ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] [Amazon] |
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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] [Amazon] |
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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] [Amazon] |
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Electric Dipole Moment
The electric dipole moment is a measure of the separation of positive and negative electrical charges within a system: that is, a measure of the system's overall Chemical polarity, polarity. The International System of Units, SI unit for electric dipole moment is the coulomb-metre (C⋅m). The debye (D) is another unit of measurement used in atomic physics and chemistry. Theoretically, an electric dipole is defined by the first-order term of the multipole expansion; it consists of two equal and opposite charges that are infinitesimally close together, although real dipoles have separated charge.Many theorists predict elementary particles can have very tiny electric dipole moments, possibly without separated charge. Such small dipoles make no difference to everyday physics, and have not yet been observed (see ''Electron electric dipole moment''). However, when making measurements at a distance much larger than the charge separation, the dipole gives a good approximation of the actua ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] [Amazon] |
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Quantum Mechanical Potentials
This is a list of potential energy functions that are frequently used in quantum mechanics and have any meaning. One-dimensional potentials * Rectangular potential barrier * Delta potential (aka "contact potential") * Delta potential#Double delta potential, Double delta potential * Step potential * Periodic potential * Barrier potential * Gaussian potential * Eckart potential Wells * Quantum well * Potential well * Finite potential well * Infinite potential well * Double-well potential * Semicircular potential well * Circular potential well * Spherical potential well * Triangular potential well Interatomic potentials * Interatomic potential * Bond order potential * EAM potential * Coulomb potential * Buckingham potential * Lennard-Jones potential * Morse potential * Morse/Long-range potential * Pöschl–Teller_potential#Rosen–Morse_potential, Rosen–Morse potential * Trigonometric Rosen–Morse potential * Stockmayer potential * Pöschl–Teller potential * Axilrod–Tell ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] [Amazon] |