PerspectiveCOMPUTATIONAL ANALYSIS

Y2K

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Science  17 Dec 1999:
Vol. 286, Issue 5448, pp. 2281
DOI: 10.1126/science.286.5448.2281

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Summary

The interaction of a potassium atom with molecular diyttrium is calculated with density functional theory. T shaped and linear geometrical isomers are investigated and are found to be well described as weak to moderate charge-transfer complexes. We conclude that the appearance of YK is unlikely to be the explosive event some have predicted.