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Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods.
Salt/common salt – a mineral, sodium chloride, NaCl, formed by evaporating seawater (impure form). Salt of tartar – potassium carbonate; also called potash. Salt of hartshorn/sal volatile – ammonium carbonate formed by distilling bones and horns. Tin salt – hydrated stannous chloride; see also spiritus fumans, another chloride of tin.
In chemistry, a salt or ionic compound is a chemical compound consisting of an assembly of positively charged ions and negatively charged ions , [1] which results in a compound with no net electric charge (electrically neutral). The constituent ions are held together by electrostatic forces termed ionic bonds.
Computer-assisted organic synthesis software is a type of application software used in organic chemistry in tandem with computational chemistry to help facilitate the tasks of designing, predicting, and producing chemical reactions. CAOS aims to identify a series of chemical reactions which, from a starting compound, can produce a desired molecule.
Diphoterine solution contains an amphoteric, chelating molecule: a substance which is capable of reacting with both acids and alkalis when applied to either type of chemical spill, stopping the aggressive action of a corrosive or irritant chemical, halting the reaction with the body.
Computational chemistry is a branch of chemistry that uses computer simulations to assist in solving chemical problems. [1] It uses methods of theoretical chemistry incorporated into computer programs to calculate the structures and properties of molecules , groups of molecules, and solids. [ 2 ]
A salt containing reactive cations undergo hydrolysis by which they react with water molecules, causing deprotonation of the conjugate acids. For example, the acid salt ammonium chloride is the main species formed upon the half neutralization of ammonia in aqueous solution of hydrogen chloride: [2] NH 3 + HCl(aq) → [NH 4] + Cl − (aq)
Chemistry is the scientific study of the properties and behavior of matter. [1] It is a physical science within the natural sciences that studies the chemical elements that make up matter and compounds made of atoms, molecules and ions: their composition, structure, properties, behavior and the changes they undergo during reactions with other substances.