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Molecular structures are graphs with chemical constraints such as valences, bond multiplicity and fragments. These generators are the core of CASE systems. In a generator, the molecular formula is the basic input. If fragments are obtained from the experimental data, they can also be used as inputs to accelerate structure generation.
However, one gram of hydrogen reacts with 8 grams of oxygen to give water or with 35.5 grams of chlorine to give hydrogen chloride: hence 8 grams of oxygen and 35.5 grams of chlorine can be taken to be equivalent to one gram of hydrogen for the measurement of equivalent weights. This system can be extended further through different acids and bases.
Gaussian / ˈ ɡ aʊ s. i. ə n / is a general purpose computational chemistry software package initially released in 1970 by John Pople [1] [2] and his research group at Carnegie Mellon University as Gaussian 70. [3] It has been continuously updated since then. [4]
An equivalent (symbol: officially equiv; [1] unofficially but often Eq [2]) is the amount of a substance that reacts with (or is equivalent to) an arbitrary amount (typically one mole) of another substance in a given chemical reaction. It is an archaic quantity that was used in chemistry and the biological sciences (see Equivalent weight § In ...
Normality is defined as the number of gram or mole equivalents of solute present in one liter of solution.The SI unit of normality is equivalents per liter (Eq/L). = where N is normality, m sol is the mass of solute in grams, EW sol is the equivalent weight of solute, and V soln is the volume of the entire solution in liters.
See Weight for detail of mass/weight distinction and conversion. Avoirdupois is a system of mass based on a pound of 16 ounces, while Troy weight is the system of mass where 12 troy ounces equals one troy pound. The symbol g 0 is used to denote standard gravity in order to avoid confusion with the (upright) g symbol for gram.
Chemical structure to name conversion; Chemical name to structure conversion; NMR spectrum simulation (1 H and 13 C); Mass spectrum simulation; Structure cleanup; Draw ligand Structure; An extensive collection of templates, including style templates for most major chemical journals.
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 ...