Vibrational corrections to geometries of
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Mark P. Waller; Michael Bühl
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Article
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2007
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John Wiley and Sons
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English
⚖ 143 KB
## Abstract Zero‐point vibrational corrections are computed at the BP86/AE1 level for the set of 50 transition‐metal/ligand bonds that have recently been proposed as testing ground for DFT methods, because of the availability of precise experimental gas‐phase geometries (Bühl and Kabrede, J Chem Th