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The Neglected Nuclei
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DOI：10.3390/molecules26102982.png)
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Abstract
En 中文
Since the nuclei in a molecule are treated as stationary, it is perhaps natural that interpretations of molecular properties and reactivity have focused primarily upon the electronic density distribution. The role of the nuclei has generally received little explicit consideration. Our objective has been to at least partially redress this imbalance in emphasis. We discuss a number of examples in which the nuclei play the determining role with respect to molecular properties and reactive behavior. It follows that conventional interpretations based solely upon electronic densities and donating or withdrawing tendencies should be made with caution.
Keywords:
electrostatic potentials
electronic density donation and withdrawal
electrostatic potentials at nuclei
through-space effects of nuclei
polarization
nuclear potentials
atomic and molecular energy relationships
dispersion interactions
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