Hartree to kj mol
[DOC File]Molar Enthalpy Worksheet
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A pound (lb.) of ice is equivalent to 0.4536 kg. The ΔHfusion of ice is +6.009kJ/mol. When water vaporizes at its normal boiling point, its ΔHvaporization = +40.79kJ/mol. Calculate the number of moles of water that condense if 3456kJ of energy are released. What mass of aluminum metal would absorb 250.0 kJ when it melted at its melting point?
[DOC File]CHEM 115
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A Hartree is large amount of energy by chemical standards (1 Hartree = 2625.5 kJ/mol). So a structure that is a 0.1 Hartree lower in energy more stable by about 262 kJ/mol. 3 A stable structure is not necessarily the best, minimum energy structure. Rather it could be …
[DOC File]Experiment #3: - IONiC / VIPEr
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In your lab notebook, convert this value to kJ/mol using the following conversion factor: 1 Hartree = 2625.50 kJ/mol. As a class project, construct a graph of Energy (of the molecule) vs. H-H distance. After you have finished the calculation of the molecular energy using a particular H-H distance, get a lab partner to verify your calculation.
[DOC File]EXPERIMENT #8 MOLECULAR MODELING
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The Gaussian Calculations Summary contains the data you will need to calculate the equilibrium constants for you structures. Write down the total energy for the structure in a.u. and then convert to kJ/mol (1 a.u. = 1 Hartree = 2625.5 kJ/mol) Repeat the steps above for …
[DOC File]CHEM 115
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A Hartree is large amount of energy by chemical standards (1 Hartree = 2625.5 kJ/mol=627.5095 kcal/mol). Thus, a structure that is a 0.1 Hartree lower in energy is more stable by about 262 kJ/mol (65 kcal/mol). This is enough energy to break most weak single bonds (e.g. C-S).
[DOC File]Table 2
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Species . hartree kJ mol-1 kJ mol-1 kJ mol-1 J K-1mol-1 kJ mol-1. Radical Reactants CH3S(c. 3 -438.10033 92.8 18.1 - 11.0 215.0 -6.4. Product Radicals 2a 1 -415.49727 253.1 17.5 - 20.9 326.0 -45.7. 2b 1 -494.15885 398.8 17.5 - 29.2 391.3 -38.5. 2c 1 -494.13546 398.0 17.5 - 28.7 403.0 -33.8 ...
[DOCX File]MESMER Manual - University of Leeds
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kJ/mol/Ang2 or kcal/mol/Ang2 or Hartree/bohr2 Table 1: Some of the values of dictRef recognized by MESMER, whether the associated input is scalar or an array, and the available units for the input values.
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