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  2. Molecular mass - Wikipedia

    en.wikipedia.org/wiki/Molecular_mass

    The molar mass is defined as the mass of a given substance divided by the amount of the substance, and is expressed in grams per mol (g/mol). That makes the molar mass an average of many particles or molecules (potentially containing different isotopes), and the molecular mass the mass of one specific particle or molecule. The molar mass is ...

  3. Molar mass - Wikipedia

    en.wikipedia.org/wiki/Molar_mass

    In chemistry, the molar mass (M) (sometimes called molecular weight or formula weight, but see related quantities for usage) of a chemical compound is defined as the ratio between the mass and the amount of substance (measured in moles) of any sample of the compound. [1] The molar mass is a bulk, not molecular, property of a substance.

  4. Gaussian (software) - Wikipedia

    en.wikipedia.org/wiki/Gaussian_(software)

    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]

  5. Qalculate! - Wikipedia

    en.wikipedia.org/wiki/Qalculate!

    Qalculate! supports common mathematical functions and operations, multiple bases, autocompletion, complex numbers, infinite numbers, arrays and matrices, variables, mathematical and physical constants, user-defined functions, symbolic derivation and integration, solving of equations involving unknowns, uncertainty propagation using interval arithmetic, plotting using Gnuplot, unit and currency ...

  6. Thermodynamic databases for pure substances - Wikipedia

    en.wikipedia.org/wiki/Thermodynamic_databases...

    Free Steam Tables Online calculator based on IAPWS-IF97; FACT-Web programs Various on-line tools for obtaining thermodynamic data and making equilibrium calculations. Mol-Instincts A chemical database based on Quantum Mechanics and QSPR, providing thermodynamic properties for millions of compounds.

  7. Amount of substance - Wikipedia

    en.wikipedia.org/wiki/Amount_of_substance

    Historically, the mole was defined as the amount of substance in 12 grams of the carbon-12 isotope.As a consequence, the mass of one mole of a chemical compound, in grams, is numerically equal (for all practical purposes) to the mass of one molecule or formula unit of the compound, in daltons, and the molar mass of an isotope in grams per mole is approximately equal to the mass number ...

  8. Mass fraction (chemistry) - Wikipedia

    en.wikipedia.org/wiki/Mass_fraction_(chemistry)

    It is one way of expressing the composition of a mixture in a dimensionless size; mole fraction (percentage by moles, mol%) and volume fraction (percentage by volume, vol%) are others. When the prevalences of interest are those of individual chemical elements , rather than of compounds or other substances, the term mass fraction can also refer ...

  9. Mole (unit) - Wikipedia

    en.wikipedia.org/wiki/Mole_(unit)

    The International Bureau of Weights and Measures defined the mole as "the amount of substance of a system which contains as many elementary entities as there are atoms in 0.012 kilograms of carbon-12." Thus, by that definition, one mole of pure 12 C had a mass of exactly 12 g. [15] [5] The four different definitions were equivalent to within 1%.