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In plumbing, a trap is a U-shaped portion of pipe designed to trap liquid or gas to prevent unwanted flow; most notably sewer gases from entering buildings while allowing waste materials to pass through. In oil refineries, traps are used to prevent hydrocarbons and other dangerous gases and chemical fumes from escaping through drains.
Many template reactions are only stoichiometric, and the decomplexation of the "templating ion" can be difficult. The alkali metal-templated syntheses of crown ether syntheses are notable exceptions. Metal Phthalocyanines are generated by metal-templated condensations of phthalonitriles, but the liberation of metal-free phthalocyanine is difficult.
An MDL Molfile is a file format for holding information about the atoms, bonds, connectivity and coordinates of a molecule.. The molfile consists of some header information, the Connection Table (CT) containing atom info, then bond connections and types, followed by sections for more complex information.
In chemistry, a chemical trap is a chemical compound that is used to detect unstable compounds. [1] The method relies on efficiency of bimolecular reactions with reagents to produce a more easily characterize trapped product. In some cases, the trapping agent is used in large excess.
IOData is a free and open-source Python library for parsing, storing, and converting various file formats commonly used by quantum chemistry, molecular dynamics, and plane-wave density-functional-theory software programs. It also supports a flexible framework for generating input files for various software packages.
Within chemistry, a Job plot, otherwise known as the method of continuous variation or Job's method, is a method used in analytical chemistry to determine the stoichiometry of a binding event. The method is named after Paul Job and is also used in instrumental analysis and advanced chemical equilibrium texts and research articles.
The difference between states A and B may be in the atom types involved, in which case the ΔF obtained is for "mutating" one molecule onto another, or it may be a difference of geometry, in which case one obtains a free-energy map along one or more reaction coordinates. This free-energy map is also known as a potential of mean force (PMF).
The ∆G° can be written as a function of change in enthalpy (∆H°) and change in entropy (∆S°) as ∆G°= ∆H° – T∆S°. Practically, enthalpies, not free energy, are used to determine whether a reaction is favorable or unfavorable, because ∆ H ° is easier to measure and T ∆ S ° is usually too small to be of any significance ...