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Computational detangling chalcogen elements substitutions associated ESDPT mechanism for oxazolinyl-substituted

Jiahe Chen1, Jinfeng Zhao2

  • 1College of Physical Science and Technology, Shenyang Normal University, Shenyang 110034, China; School of Physics, Liaoning University, Shenyang 110034, China.

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|November 27, 2024
PubMed

Keywords:
Chalcogen atomic electronegativityCharge redistributionExcited state double proton transferHydrogen bonding interactionPotential energy surface

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