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≘ 2 625.499 639 4799 (50) kJ/mol ≘ 627.509 474 0631 (12) kcal/mol ≘ 219 474.631 363 20 (43) cm −1 ≘ 6 579.683 920 502 (13) THz. where: ħ is the reduced Planck constant, m e is the electron mass, e is the elementary charge, a 0 is the Bohr radius, ε 0 is the electric constant, c is the speed of light in vacuum, and; α is the fine ...
default conversion combinations SI: yottajoule: YJ YJ 1.0 ... kcal kcal 1.0 kcal (4.2 kJ) ... Hartree: Eh (Hartree) E h: 1.0 ...
The kilocalorie per mole is a unit to measure an amount of energy per number of molecules, atoms, or other similar particles. It is defined as one kilocalorie of energy (1000 thermochemical gram calories) per one mole of substance. The unit symbol is written kcal/mol or kcal⋅mol −1. As typically measured, one kcal/mol represents a ...
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:
Energy density is the amount of energy per mass or volume of food. The energy density of a food can be determined from the label by dividing the energy per serving (usually in kilojoules or food calories) by the serving size (usually in grams, milliliters or fluid ounces).
Chemical accuracy is the accuracy required to make realistic chemical predictions and is generally considered to be 1 kcal/mol or 4 kJ/mol. To reach that accuracy in an economic way, it is necessary to use a series of post-Hartree–Fock methods and combine the results. These methods are called quantum chemistry composite methods. [56]
The NIST document gives conversion factors correct to 7 places. Factors in bold are exact. If exact factors have more than 7 places, they are rounded and no longer exact. This convert module replaces these rounded figures with the exact figures. For example, the NIST document has 1 square mile = 2.589 988 E+06 square meters.