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单词 Walsh diagram
释义

Walsh diagram

英语百科

Walsh diagram

 Walsh Diagram of an HAH molecule.
 A Walsh diagram for an AH2 molecule (e.g. H2O)
 A Walsh diagram for a planar AH3 molecule
 Orbital interaction diagram for nucleophilic addition to CH3+

Walsh diagrams, often called angular coordinate diagrams or correlation diagrams, are representations of calculated orbital energies of a molecule versus a distortion coordinate, used for making quick predictions about the geometries of small molecules. By plotting the change in molecular orbital levels of a molecule as a function of geometrical change, Walsh diagrams explain why molecules are more stable in certain spatial configurations (i.e. why water adopts a bent conformation).

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