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43 relations: Agostic interaction, Angewandte Chemie, Anthracene, Atom, Attractor, Biphenyl, Bond length, Calorie, Chemical bond, Chemistry, Chlorine, Chrysene, Crystal, Crystal structure, Delocalized electron, Dihedral angle, Dihydrogen bond, Electron density, Electron shell, Energy, In silico, Isomer, Jack D. Dunitz, Joule, Journal of Organic Chemistry, McMaster University, Metallic hydrogen, Mole (unit), Molecular geometry, Phenanthrene, Pi bond, Polycyclic aromatic hydrocarbon, Quantum chemistry, Richard Bader, Scientific modelling, Stationary point, Steric effects, Tetracene, Three-dimensional space, Topology, Van der Waals radius, Virial theorem, X-ray crystallography.
Agostic interaction
Agostic interaction is a term in organometallic chemistry for the interaction of a coordinatively-unsaturated transition metal with a C−H bond, when the two electrons involved in the C−H bond enter the empty d-orbital of a transition metal, resulting in a three-center two-electron bond.
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Angewandte Chemie
Angewandte Chemie (meaning "Applied Chemistry") is a weekly peer-reviewed scientific journal that is published by Wiley-VCH on behalf of the German Chemical Society (Gesellschaft Deutscher Chemiker).
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Anthracene
Anthracene is a solid polycyclic aromatic hydrocarbon (PAH) of formula C14H10, consisting of three fused benzene rings.
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Atom
An atom is the smallest constituent unit of ordinary matter that has the properties of a chemical element.
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Attractor
In the mathematical field of dynamical systems, an attractor is a set of numerical values toward which a system tends to evolve, for a wide variety of starting conditions of the system.
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Biphenyl
Biphenyl (or diphenyl or phenylbenzene or 1,1′-biphenyl or lemonene) is an organic compound that forms colorless crystals.
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Bond length
In molecular geometry, bond length or bond distance is the average distance between nuclei of two bonded atoms in a molecule.
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Calorie
A calorie is a unit of energy.
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Chemical bond
A chemical bond is a lasting attraction between atoms, ions or molecules that enables the formation of chemical compounds.
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Chemistry
Chemistry is the scientific discipline involved with compounds composed of atoms, i.e. elements, and molecules, i.e. combinations of atoms: their composition, structure, properties, behavior and the changes they undergo during a reaction with other compounds.
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Chlorine
Chlorine is a chemical element with symbol Cl and atomic number 17.
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Chrysene
Chrysene is a polycyclic aromatic hydrocarbon (PAH) with the molecular formula that consists of four fused benzene rings.
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Crystal
A crystal or crystalline solid is a solid material whose constituents (such as atoms, molecules, or ions) are arranged in a highly ordered microscopic structure, forming a crystal lattice that extends in all directions.
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Crystal structure
In crystallography, crystal structure is a description of the ordered arrangement of atoms, ions or molecules in a crystalline material.
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Delocalized electron
In chemistry, delocalized electrons are electrons in a molecule, ion or solid metal that are not associated with a single atom or a covalent bond.
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Dihedral angle
A dihedral angle is the angle between two intersecting planes.
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Dihydrogen bond
In chemistry, a dihydrogen bond is a kind of hydrogen bond, an interaction between a metal hydride bond and an OH or NH group or other proton donor.
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Electron density
Electron density is the measure of the probability of an electron being present at a specific location.
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Electron shell
In chemistry and atomic physics, an electron shell, or a principal energy level, may be thought of as an orbit followed by electrons around an atom's nucleus.
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Energy
In physics, energy is the quantitative property that must be transferred to an object in order to perform work on, or to heat, the object.
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In silico
In silico (literally cod Latin for "in silicon", alluding to the mass use of silicon for semiconductor computer chips) is an expression used to mean "performed on computer or via computer simulation." The phrase was coined in 1989 as an allusion to the Latin phrases in vivo, in vitro, and in situ, which are commonly used in biology (see also systems biology) and refer to experiments done in living organisms, outside living organisms, and where they are found in nature, respectively.
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Isomer
An isomer (from Greek ἰσομερής, isomerès; isos.
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Jack D. Dunitz
Jack David Dunitz (born 29 March 1923, Glasgow) FRS is a British chemist and widely known chemical crystallographer.
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Joule
The joule (symbol: J) is a derived unit of energy in the International System of Units.
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Journal of Organic Chemistry
The Journal of Organic Chemistry, colloquially known as JOC or J Org, is a peer-reviewed scientific journal for original contributions of fundamental research in all branches of theory and practice in organic and bioorganic chemistry.
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McMaster University
McMaster University (commonly referred to as McMaster or Mac) is a public research university in Hamilton, Ontario, Canada.
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Metallic hydrogen
Metallic hydrogen is a phase of hydrogen in which it behaves like an electrical conductor.
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Mole (unit)
The mole, symbol mol, is the SI unit of amount of substance.
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Molecular geometry
Molecular geometry is the three-dimensional arrangement of the atoms that constitute a molecule.
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Phenanthrene
Phenanthrene is a polycyclic aromatic hydrocarbon composed of three fused benzene rings.
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Pi bond
In chemistry, pi bonds (π bonds) are covalent chemical bonds where two lobes of an orbital on one atom overlap two lobes of an orbital on another atom.
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Polycyclic aromatic hydrocarbon
Polycyclic aromatic hydrocarbons (PAHs, also polyaromatic hydrocarbons or polynuclear aromatic hydrocarbons) are hydrocarbons—organic compounds containing only carbon and hydrogen—that are composed of multiple aromatic rings (organic rings in which the electrons are delocalized).
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Quantum chemistry
Quantum chemistry is a branch of chemistry whose primary focus is the application of quantum mechanics in physical models and experiments of chemical systems.
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Richard Bader
Richard F. W. Bader (October 15, 1931 – January 15, 2012) was a Canadian quantum chemist, noted for his work on the Atoms in molecules theory.
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Scientific modelling
Scientific modelling is a scientific activity, the aim of which is to make a particular part or feature of the world easier to understand, define, quantify, visualize, or simulate by referencing it to existing and usually commonly accepted knowledge.
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Stationary point
In mathematics, particularly in calculus, a stationary point or critical point of a differentiable function of one variable is a point on the graph of the function where the function's derivative is zero.
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Steric effects
Steric effects are nonbonding interactions that influence the shape (conformation) and reactivity of ions and molecules.
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Tetracene
Tetracene, also called naphthacene, is a polycyclic aromatic hydrocarbon.
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Three-dimensional space
Three-dimensional space (also: 3-space or, rarely, tri-dimensional space) is a geometric setting in which three values (called parameters) are required to determine the position of an element (i.e., point).
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Topology
In mathematics, topology (from the Greek τόπος, place, and λόγος, study) is concerned with the properties of space that are preserved under continuous deformations, such as stretching, crumpling and bending, but not tearing or gluing.
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Van der Waals radius
The van der Waals radius, r, of an atom is the radius of an imaginary hard sphere representing the distance of closest approach for another atom.
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Virial theorem
In mechanics, the virial theorem provides a general equation that relates the average over time of the total kinetic energy, \left\langle T \right\rangle, of a stable system consisting of N particles, bound by potential forces, with that of the total potential energy, \left\langle V_\text \right\rangle, where angle brackets represent the average over time of the enclosed quantity.
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X-ray crystallography
X-ray crystallography is a technique used for determining the atomic and molecular structure of a crystal, in which the crystalline atoms cause a beam of incident X-rays to diffract into many specific directions.
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Atoms in Molecules, Bader analysis, Bader charge analysis, Bader charges, Hydrogen hydrogen bond, Hydrogen-hydrogen bond, QTAIM, Qtaim, Quantum Theory of Atoms in Molecules.
References
[1] https://en.wikipedia.org/wiki/Atoms_in_molecules
