Photodissociation dynamics of F2 in solid Kr: Theory versus experiment

R. Alimi; R. B. Gerber; V. A. Apkarian

doi:10.1103/PhysRevLett.66.1295

Photodissociation dynamics of F2 in solid Kr: Theory versus experiment

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

^*Corresponding author for this work

Institute of Chemistry

Research output: Contribution to journal › Article › peer-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 language	English
Pages (from-to)	1295-1297
Number of pages	3
Journal	Physical Review Letters
Volume	66
Issue number	10
DOIs	https://doi.org/10.1103/PhysRevLett.66.1295
State	Published - 1991

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10.1103/PhysRevLett.66.1295

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title = "Photodissociation dynamics of F2 in solid Kr: Theory versus experiment",

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.",

author = "R. Alimi and Gerber, \{R. B.\} and Apkarian, \{V. A.\}",

year = "1991",

doi = "10.1103/PhysRevLett.66.1295",

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journal = "Physical Review Letters",

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AU - Gerber, R. B.

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PY - 1991

Y1 - 1991

N2 - 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.

AB - 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.

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JO - Physical Review Letters

JF - Physical Review Letters

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Photodissociation dynamics of F2 in solid Kr: Theory versus experiment

Abstract

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