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Problematic Energy Differences between Cumulenes and Poly-ynes: Does This Point to a Systematic Improvement of Density Functional Theory?
Woodcock, H. Lee, Schaefer, Henry F., Schreiner, Peter R.Volume:
106
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp0212895
Date:
December, 2002
File:
PDF, 498 KB
english, 2002