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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 .
The contribution of the muscle to the specific heat of the body is approximately 47%, and the contribution of the fat and skin is approximately 24%. The specific heat of tissues range from ~0.7 kJ · kg−1 · °C−1 for tooth (enamel) to 4.2 kJ · kg−1 · °C−1 for eye (sclera). [13]
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 T1 procedure reproduces these values with mean absolute and RMS errors of 1.8 and 2.5 kJ/mol, respectively. T1 reproduces experimental heats of formation for a set of 1805 diverse organic molecules from the NIST thermochemical database [14] with mean absolute and RMS errors of 8.5 and 11.5 kJ/mol, respectively.
2 at constant volume is 20.6 J⋅K −1 ⋅mol −1 (at 15 °C, 1 atm), which is 2.49 R. [11] From the theoretical equation c V,m = 1 / 2 fR, one concludes that each molecule has f = 5 degrees of freedom. These turn out to be three degrees of the molecule's velocity vector, plus two degrees from its rotation about an axis through the ...
This Hartree–Fock model gives a reasonable description of H 2 around the equilibrium geometry – about 0.735 Å for the bond length (compared to a 0.746 Å experimental value) and 350 kJ/mol (84 kcal/mol) for the bond energy (experimentally, 432 kJ/mol (103 kcal/mol) [1]). This is typical for the HF model, which usually describes closed ...
51.1 kJ/mol Std entropy change of sublimation at 273.15 K, 1 bar, Δ sub S ~144 J/(mol·K) Molal freezing point constant: −1.858 °C kg/mol Molal boiling point constant: 0.512 °C kg/mol Solid properties Std enthalpy change of formation, Δ f H o solid: −291.83 kJ/mol Standard molar entropy, S o solid: 41 J/(mol K) Heat capacity, c p: 12.2 ...
The standard enthalpy of formation is measured in units of energy per amount of substance, usually stated in kilojoule per mole (kJ mol −1), but also in kilocalorie per mole, joule per mole or kilocalorie per gram (any combination of these units conforming to the energy per mass or amount guideline).