Additions and corrections, Phys. Chem. Chem. Phys.

Additions and corrections

Erratum: Quantum mechanical study of the proton exchange in the ortho-para H₂ conversion reaction at low temperature

P. Honvault, M. Jorfi, T. González-Lezana, A. Faure and L. Pagani

Phys. Chem. Chem. Phys., 2011, 13, 19089–19100 (DOI: 10.1039/10.1039/C1CP21232J). Amendment published 9th February 2012.

In the full paper [1], the TIQM and SQM rate coefficients shown in Table 2 and Table 3 were miscalculated. The corrected result is obtained by dividing them by the factor 3.571. Actually, we used the computed cross sections but we considered them in Å² and not in
a²₀. This caused an artificial increase of rate coefficients. In the correct calculations of rate coefficients, we used the cross sections in a²₀.

In connection with this revision, at the 8th line from the top in the right column in Page 19096, the values 4.152 10^-10 cm³ molecule^-1 and 5.543 10^-10 cm³ molecule^-1 must be replaced respectively by 1.163 10^-10 cm³ molecule^-1 and 1.552 10^-10 cm³ molecule^-1. At the 3rd line from the top in the right column in Page 19098, 40% is replaced by 60%. At the 8th lines from the top in the right column in Page 19098, 4.5 10^-10 cm³ molecule^-1 is replaced by 1.25 10^-10 cm³ molecule^-1. At the 9th line from the top in the right column in Page 19098, the sentence is revised as “Whereas the comparison with the corresponding value given by Gerlich⁴¹ is certainly not bad, our present SQM prediction (0.92 10^-10 cm³ molecule^-1) is smaller”. Finally, the parameter alpha in Table 4 must be divided by the factor 3.571.

The main conclusions of the full paper[1] are unchanged.

We wish to thank Ronald McCarroll for having spotted the error.

[1] P. Honvault, M. Jorfi, T. Gonzalez-Lezana, A. Faure, L. Pagani, Phys. Chem. Chem. Phys. 13,
19089 (2011).

The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.

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