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The hartree (symbol: E h), also known as the Hartree energy, is the unit of energy in the atomic units system, named after the British physicist Douglas Hartree. Its CODATA recommended value is E h = 4.359 744 722 2060 (48) × 10 −18 J [ 1 ] = 27.211 386 245 981 (30) eV .
kT (also written as k B T) is the product of the Boltzmann constant, k (or k B), and the temperature, T.This product is used in physics as a scale factor for energy values in molecular-scale systems (sometimes it is used as a unit of energy), as the rates and frequencies of many processes and phenomena depend not on their energy alone, but on the ratio of that energy and kT, that is, on E ...
Hartree defined units based on three physical constants: [1]: 91 Both in order to eliminate various universal constants from the equations and also to avoid high powers of 10 in numerical work, it is convenient to express quantities in terms of units, which may be called 'atomic units', defined as follows:
The conversion procedure for some units (for example, the Mach unit of speed) are built into Module:Convert as they are too complex to be specified in a table. That is indicated by entering a code (which must be the same as used in the module) in the Extra column.
kJ kJ 1.0 kJ (240 cal) ... 1.0 scf (2.9 kJ) cuftatm [convert: unknown unit] cuftatm (cufootatm) (none) impgalatm [convert: unknown unit] ... Eh (Hartree) E h: 1.0 ...
As typically measured, one kcal/mol represents a temperature increase of one degree Celsius in one liter of water (with a mass of 1 kg) resulting from the reaction of one mole of reagents. In SI units , one kilocalorie per mole is equal to 4.184 kilojoules per mole (kJ/mol), which comes to approximately 6.9477 × 10 −21 joules per molecule ...
It is also an SI derived unit of molar thermodynamic energy defined as the energy equal to one joule in one mole of substance. [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]
To convert from / to /, multiply by 100. To convert from / ... 1 dm 3 /mol = 1 L/mol = 1 m 3 /kmol = 0.001 m 3 /mol (where kmol is kilomoles = 1000 moles) References