Photodissociation dynamics of F2 in solid Kr: Theory versus experiment

R. Alimi*, R. B. Gerber, V. A. Apkarian

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

42 Scopus citations

Abstract

Molecular-dynamics simulations were used to calculate the photodissociation yield of F2 in solid Kr as a function of proton energy at 12 K. The calculations used pairwise interactions including empirical gas-phase F(2P3/2)/Kr potentials. Excellent agreement was found with recent experimental data, showing the quantitative accuracy of molecular-dynamics simulations using pairwise reagent solvent potentials, in describing a chemical condensed-matter reaction.

Original languageEnglish
Pages (from-to)1295-1297
Number of pages3
JournalPhysical Review Letters
Volume66
Issue number10
DOIs
StatePublished - 1991

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