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Correction: Probing keto–enol tautomerism using photoelectron spectroscopy
Nathalie
Capron
ab,
Bastien
Casier
ab,
Nicolas
Sisourat
ab,
Maria Novella
Piancastelli
abc,
Marc
Simon
ab and
Stéphane
Carniato
*ab
aSorbonne Universités, UPMC Univ Paris 06, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, F-75005, Paris, France. E-mail: Nicolas.Sisourat@upmc.fr
bCNRS, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, F-75005, Paris, France
cDepartment of Physics and Astronomy, Uppsala University, 75120 Uppsala, Sweden
First published on 6th December 2017
Abstract
Correction for ‘Probing keto–enol tautomerism using photoelectron spectroscopy’ by Nathalie Capron et al., Phys. Chem. Chem. Phys., 2015, 17, 19991–19996.
The authors would like to make a correction to Table 6 in the published article where the data reported do not correspond to the legend.
The reported basis set in Table 6 is not the “Set of coefficients and exponents corresponding to oxygen core ionized optimized unrestricted HartreeFock (UHF) configurations for 6-31G basis set as calculated in ref. 54” as indicated in the caption, but is actually the ground state basis set of oxygen atom…
The corrected Table 6 is shown below.
| O-631G*+(3s,3p,2d) | Exponents | (s) Coefficients | (p) Coefficients | (d) Coefficients |
|---|---|---|---|---|
| S | 5964.6252793 | 0.001710342000 | ||
| S | 895.5465891 | 0.013114581001 | ||
| S | 203.7560106 | 0.065221864006 | ||
| S | 57.5539866 | 0.228700142019 | ||
| S | 18.4231966 | 0.476898256040 | ||
| S | 6.4949949 | 0.354239792030 | ||
| L | 21.8822316 | −0.116752153036 | 0.065285646026 | |
| L | 5.1691771 | −0.308316030094 | 0.335628169132 | |
| L | 1.4954882 | 1.232400167378 | 0.729263460286 | |
| L | 0.4392245 | 1.00 | 1.00 | |
| D | 1.50 | 1.00 | ||
| L | 0.1464000 | 1.00 | 1.00 | |
| L | 0.0487000 | 1.00 | 1.00 | |
| L | 0.0162000 | 1.00 | 1.00 | |
| D | 0.50 | 1.00 | ||
| D | 0.16 | 1.00 | ||
The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.
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