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J Chem Phys. 2005 Jul 22;123(4):047101; author reply 047102. doi: 10.1063/1.1989317.

Comment on "Theoretical study of the photoinduced transfer among the ground state and two metastable states in [Fe(CN)5NO]2-" [J. Chem. Phys. 122, 074314 (2005)].

The Journal of chemical physics

D Schaniel, Th Woike, B Delley, J Schefer, M Imlau

PMID: 16095388 DOI: 10.1063/1.1989317

Abstract

We discuss the computational results of the "Theoretical study of the photoinduced transfer among the ground state and two metastable states in [Fe(CN)5NO]2-" [J. Chem. Phys. 122, 074314 (2005)] with respect to our previously reported polarized absorption study on the metastable states SI and SII in Na2[Fe(CN)5NO]2H2O [D. Schaniel, J. Schefer, B. Delley, M. Imlau, and Th. Woike, Phys. Rev. B 66, 085103 (2002)].

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