Erratum: “On nonadiabatic molecular dynamics simulations of the photofragmentation and geminate recombination dynamics in size-selected I2−⋅Arn cluster ions” [J. Chem. Phys. 106, 7102 (1997)]
Author(s) -
Víctor S. Batista,
D. F. Coker
Publication year - 1999
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.478561
Subject(s) - dynamics (music) , cluster (spacecraft) , molecular dynamics , ion , chemistry , recombination , cluster size , chemical physics , physics , molecular physics , computational chemistry , computer science , organic chemistry , biochemistry , acoustics , gene , programming language
y After publication of our paper, 1 we have discovered a programming error in the computer code for obtaining mi mum energy structures as presented in Sec. II B. Neither MD simulation scheme nor the qualitative conclusions p sented previously are affected by this but there are quan tive differences as described below. Figure 1 shows the energies of the lowest minimum ergy structures, expressed as energy divided by the num of solvent particles~replacing Fig. 1 in the original paper, 1
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