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2-Fluorobenzaldehyde 3-Fluorobenzaldehyde 4-Fluorobenzaldehyde Molecular formula: C 7 H 5 FO C 7 H 5 FO C 7 H 5 FO Molar mass: 124.11 g/mol 124.11 g/mol 124.11 g/mol CAS number: 446-52-6 456-48-4 459-57-4 EC number 207-171-2 207-266-9 459-57-4 Properties: Melting point-44.5°C -10°C Boiling point: 175°C 173°C 181°C Flash point: 55°C 56°C ...
The Fukui function is named after Kenichi Fukui, who investigated the frontier orbitals described by the function, specifically the HOMO and LUMO. [3] Fukui functions are related in part to the frontier molecular orbital theory (also known as the Fukui theory of reactivity and selection, also developed by Kenichi Fukui) which discusses how nucleophiles attack the HOMO while at the same time ...
Amsterdam Density Functional (ADF) is a program for first-principles electronic structure calculations that makes use of density functional theory (DFT). [1] ADF was first developed in the early seventies by the group of E. J. Baerends from the Vrije Universiteit in Amsterdam, and by the group of T. Ziegler from the University of Calgary.
Kernel density estimate with diagonal bandwidth for synthetic normal mixture data. We consider estimating the density of the Gaussian mixture (4π) −1 exp(− 1 ⁄ 2 (x 1 2 + x 2 2)) + (4π) −1 exp(− 1 ⁄ 2 ((x 1 - 3.5) 2 + x 2 2)), from 500 randomly generated points. We employ the Matlab routine for 2-dimensional data.
2-Chloro-6-fluorobenzaldehyde is prepared by oxidation of 2-chloro-6-fluorotolulene by chromyl chloride. [3] It reacts with sodium hydroxide to give a mixture of 2-chloro-6-fluorobenzene and 6-chlorosalicaldehyde. [4] 2-Chloro-6-fluorobenzaldehyde is used in the production of the antiseptics dicloxacillin and flucloxacillin.
The fluorous domain is often a substituent intended to confer solubility in the fluorocarbon medium. Such perfluorosubstituents are often introduced in what are called ponytails. Typical fluorous ponytails have the formula CF 3 (CF 2) n (CH 2) m - where n is about 10 and m is about 3. [1]
Fluorobenzene is an aryl fluoride and the simplest of the fluorobenzenes, with the formula C 6 H 5 F, often abbreviated PhF. A colorless liquid, it is a precursor to many fluorophenyl compounds. A colorless liquid, it is a precursor to many fluorophenyl compounds.
Thomas–Fermi screening is a theoretical approach to calculate the effects of electric field screening by electrons in a solid. [1] It is a special case of the more general Lindhard theory; in particular, Thomas–Fermi screening is the limit of the Lindhard formula when the wavevector (the reciprocal of the length-scale of interest) is much smaller than the Fermi wavevector, i.e. the long ...