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In the Cambridge Structural Database of small-molecule structures, more than 95% of the 500,000+ crystals have an R-factor lower than 0.15, and 9.5% have an R-factor lower than 0.03. Crystallographers also use the Free R-Factor ( R F r e e {\displaystyle R_{Free}} ) [ 3 ] to assess possible overmodeling of the data.
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In supramolecular chemistry, [1] host–guest chemistry describes complexes that are composed of two or more molecules or ions that are held together in unique structural relationships by forces other than those of full covalent bonds. Host–guest chemistry encompasses the idea of molecular recognition and interactions through non-covalent ...
The reservoir is a porous and permeable lithological unit or set of units that holds the hydrocarbon reserves. Analysis of reservoirs at the simplest level requires an assessment of their porosity (to calculate the volume of in situ hydrocarbons) and their permeability (to calculate how easily hydrocarbons will flow out of them). [ 2 ]
Definition of formation volume factor Bo and gas/oil ratio Rs for oil. When oil is produced to surface temperature and pressure it is usual for some natural gas to come out of solution. The gas/oil ratio (GOR) is the ratio of the volume of gas ("scf") that comes out of solution to the volume of oil — at standard conditions.
In chromatography, the retardation factor (R) is the fraction of an analyte in the mobile phase of a chromatographic system. [1] In planar chromatography in particular, the retardation factor R F is defined as the ratio of the distance traveled by the center of a spot to the distance traveled by the solvent front. [ 2 ]
Conversion and its related terms yield and selectivity are important terms in chemical reaction engineering.They are described as ratios of how much of a reactant has reacted (X — conversion, normally between zero and one), how much of a desired product was formed (Y — yield, normally also between zero and one) and how much desired product was formed in ratio to the undesired product(s) (S ...
The Taft equation is a linear free energy relationship (LFER) used in physical organic chemistry in the study of reaction mechanisms and in the development of quantitative structure–activity relationships for organic compounds. It was developed by Robert W. Taft in 1952 [2] [3] [4] as a modification to the Hammett equation. [5]