Factors influencing hydrogen peroxide versus water inclusion in molecular crystals

Abstract

Crystallographic hydrogen-bonding interaction geometries and energies between water or hydrogen peroxide and small molecules representing six functional group classes were determined to develop strategies towards hydrogen peroxide solvate formation.

Document Details

Document Type
Pub Defense Publication
Publication Date
Jan 01, 2022
Source ID
10.1039/d1cp05765k

Entities

People

  • Adam J. Matzger
  • Krzysztof Szalewicz
  • Rahul Nikhar
  • Ren A Wiscons

Organizations

  • Army Research Office
  • National Science Foundation
  • University of Delaware
  • University of Michigan

Tags

Fields of Study

  • Chemistry

Readers

  • Materials Science and Engineering.
  • Polymer Science and Engineering.
  • Quantum Chemistry