TY - JOUR
T1 - Photodissociation dynamics of F2 in solid Kr
T2 - Theory versus experiment
AU - Alimi, R.
AU - Gerber, R. B.
AU - Apkarian, V. A.
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.
UR - http://www.scopus.com/inward/record.url?scp=0001201721&partnerID=8YFLogxK
U2 - 10.1103/PhysRevLett.66.1295
DO - 10.1103/PhysRevLett.66.1295
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AN - SCOPUS:0001201721
SN - 0031-9007
VL - 66
SP - 1295
EP - 1297
JO - Physical Review Letters
JF - Physical Review Letters
IS - 10
ER -