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It is a "chemistry aware" computer programming language with over 1,000 specific functions for analyzing and manipulating chemical structures and related molecular objects. SVL is a concise, high-level language whose programs are typically 10 times smaller than their equivalent when compared to C or Fortran .
In inorganic chemistry, Fajans' rules, formulated by Kazimierz Fajans in 1923, [1] [2] [3] are used to predict whether a chemical bond will be covalent or ionic, and depend on the charge on the cation and the relative sizes of the cation and anion. They can be summarized in the following table:
Polane (polonium hydride) is a more covalent compound than most metal hydrides because polonium straddles the border between metal and metalloid and has some nonmetallic properties: it is intermediate between a hydrogen halide like hydrogen chloride (HCl) and a metal hydride like stannane (SnH 4).
Covalent bonds are generally formed between two nonmetals. There are several types of covalent bonds: in polar covalent bonds, electrons are more likely to be found around one of the two atoms, whereas in nonpolar covalent bonds, electrons are evenly shared. Homonuclear diatomic molecules are purely covalent.
Most commonly, the term crystal structure prediction means a search for the minimum-energy arrangement of its constituent atoms (or, for molecular crystals, of its molecules) in space. The problem has two facets: combinatorics (the "search phase space", in practice most acute for inorganic crystals), and energetics (or "stability ranking", most ...
the Extended Born thermodynamic cycle, including an analysis of covalent and ionic bonding contributions; spectroscopically measured properties, such as core-electron binding energy shifts; the relationship of atomic charges to melting points, solubility, and cleavage energies for a set of similar compounds with similar degree of covalent bonding
Stock nomenclature for inorganic compounds is based on the indication of the oxidation number (as a roman numeral, in parentheses) of each of the major elements in the compound, e.g. iron(III) chloride. It is widely, if sometimes incorrectly, used on Wikipedia for the titles of articles about inorganic compounds.
From the view point of a formal language theory, SMILES is a word. A SMILES is parsable with a context-free parser. The use of this representation has been in the prediction of biochemical properties (incl. toxicity and biodegradability ) based on the main principle of chemoinformatics that similar molecules have similar properties.