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Jaguar is a computer software package used for ab initio quantum chemistry calculations for both gas and solution phases. [1] It is commercial software marketed by the company Schrödinger . The program was originated in research groups of Richard Friesner and William Goddard and was initially called PS-GVB (referring to the so-called ...
Values from CRC are ionization energies given in the unit eV; other values are molar ionization energies given in the unit kJ/mol.The first of these quantities is used in atomic physics, the second in chemistry, but both refer to the same basic property of the element.
The Chemistry of the Actinide and Transactinide Elements (3rd ed.). Dordrecht, The Netherlands: Springer Science+Business Media. ISBN 1-4020-3555-1. (for predictions) Cotton, Simon (2006). Lanthanide and Actinide Chemistry. John Wiley & Sons Ltd. Fricke, Burkhard (1975). "Superheavy elements: a prediction of their chemical and physical properties".
The CRC Handbook of Chemistry and Physics is a comprehensive one-volume reference resource for science research. First published in 1914, it is currently (as of 2024) in its 105th edition, published in 2024. It is known colloquially among chemists as the "Rubber Bible", as CRC originally stood for "Chemical Rubber Company". [2]
The standard Gibbs free energy of formation (G f °) of a compound is the change of Gibbs free energy that accompanies the formation of 1 mole of a substance in its standard state from its constituent elements in their standard states (the most stable form of the element at 1 bar of pressure and the specified temperature, usually 298.15 K or 25 °C).
[1] [2] For example, the Gibbs free energy of a compound in the area of thermochemistry is often quantified in units of kilojoules per mole (symbol: kJ·mol −1 or kJ/mol), with 1 kilojoule = 1000 joules. [3] Physical quantities measured in J·mol −1 usually describe quantities of energy transferred during phase transformations or chemical ...
ε 0 is the permittivity of free space, equal to 8.854 × 10 −12 C 2 J −1 m −1; r 0 is the nearest-neighbor distance between ions; and n is the Born exponent (a number between 5 and 12, determined experimentally by measuring the compressibility of the solid, or derived theoretically).
It is common in electrochemistry and solid-state physics to discuss both the chemical potential and the electrochemical potential of the electrons.However, in the two fields, the definitions of these two terms are sometimes swapped.