Model for Hydrogen-Bond-Induced Dissociation of HF
No mentions found
This entity hasn't been tracked yet, or Iris is still building its knowledge base.
Related Articles from SNS
Static Electric Fields as a Model for Hydrogen-Bond-Induced Dissociation of HF and HCl
arXiv:2606.09011v1 Announce Type: new Abstract: The influence of static electric fields on the electronic structure and dissociation behavior of the polar diatomics \ce{HF} and \ce{HCl} is investigated using quantum chemical calculations. Ground- and excited-state potential energy surfaces (PESs) are computed as a function of bond distance and external electric field strength to examine field-induced modifications of chemical bonding. The calculations reveal pronounced bond softening and...