The properties of a molecule that are most frequently calculated are geometry, energy (compared to that of other isomers), and spectra. Why is it more of a challenge to calculate “simple” properties like melting point and density? Hint: is there a difference between a molecule X and the substance X?

Chemistry In Focus
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Chapter5: Chemical Bonding
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The properties of a molecule that are most frequently calculated are geometry, energy (compared to that of other isomers), and spectra. Why is it more of a challenge to calculate “simple” properties like melting point and density? Hint: is there a difference between a molecule X and the substance X?

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