Results for 'Propadiene'

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  1. A Neglected Aspect of the Puzzle of Chemical Structure: How History Helps.Joseph E. Earley - 2012 - Foundations of Chemistry 14 (3):235-243.
    Intra-molecular connectivity (that is, chemical structure) does not emerge from computations based on fundamental quantum-mechanical principles. In order to compute molecular electronic energies (of C 3 H 4 hydrocarbons, for instance) quantum chemists must insert intra-molecular connectivity “by hand.” Some take this as an indication that chemistry cannot be reduced to physics: others consider it as evidence that quantum chemistry needs new logical foundations. Such discussions are generally synchronic rather than diachronic —that is, they neglect ‘historical’ aspects. However, systems of (...)
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