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Electronic Structure of Aqueous Sulfuric Acid from First-Principles Simulations with Hybrid Functionals

Quan Wan1,2, Leonardo Spanu1, Francois Gygi3

  • 1†Department of Chemistry, University of California Davis, One Shields Avenue, Davis, California 95616, United States.

The Journal of Physical Chemistry Letters
|August 18, 2015
PubMed
Abstract

No abstract available in PubMed .

Keywords:
ab initio molecular dynamicsdegree of dissociationelectronic structurehybrid functionalsion solvationsulfuric acid

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