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The Failure of Generalized Gradient Approximations (GGAs) and Meta-GGAs for the Two-Center Three-Electron Bonds in He 2+ , (H 2 O) 2+ , and (NH 3 ) 2+
Grüning, M., Gritsenko, O. V., van Gisbergen, S. J. A., Baerends, E. J.Volume:
105
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp011239k
Date:
October, 2001
File:
PDF, 87 KB
english, 2001