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Science 17 December 1999:
Vol. 286. no. 5448, p. 2281
DOI: 10.1126/science.286.5448.2281
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Perspectives

COMPUTATIONAL ANALYSIS:
Y2K

Christopher J. Cramer and Jeffrey T. Roberts

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 Y2K is unlikely to be the explosive event some have predicted.

The authors are in the Department of Chemistry and Supercomputer Institute, University of Minnesota, 207 Pleasant Street SE, Minneapolis, MN 55455-0431, USA. E-mail: cramer{at}chem.umn.edu, roberts{at}chem.umn.edu

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Science. ISSN 0036-8075 (print), 1095-9203 (online)