Stabilization Energies of Cl(-), Br(-) and I(-) Ions in Water Clusters

Abstract

Molecular dynamics computer simulations were performed on clusters or Cl-(H2O)n (n = 1,2,...15). From the simulations we calculated the stabilization energies of the anion in the cluster the values of stabilization energies obtained from the photodetachment spectra of X(H2O)n clusters (X = Cl-, Br- or I-). The comparison confirms the hypothesis that the anion is attached to the water cluster. Aqueous clusters, Polarization of water

Open PDF

Document Details

Document Type
Technical Report
Publication Date
May 01, 1993
Accession Number
ADA273453

Entities

People

  • L. Perera
  • Max L. Berkowitz

Organizations

  • University of North Carolina at Chapel Hill

Tags

DTIC Thesaurus Topics

  • Abstracts
  • Chemistry
  • Computer Simulations
  • Computers
  • Dynamics
  • Energy
  • Equations Of Motion
  • Experimental Data
  • Military Research
  • Molecular Dynamics
  • North Carolina
  • Photoelectron Spectra
  • Photoelectrons
  • Physics
  • Simulations
  • Spectra
  • Universities

Readers

  • Quantum Chemistry