File:Bh3 bond changes.tif
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Bh3_bond_changes.tif (1,272 × 915 pixels, file size: 283 KB, MIME type: image/tiff)
BH3 Optimisation
Changing Bond Lengths
A BH3 molecule was produced and the lengths of the B-H bonds were changed from the original 1.18A to 1.50A.

The molecule on the left is the original molecule and the one on the right is the altered one.
3-21G Basis Set
The following methodology was used to optimise the BH3 molecule:
Method | Ground State | DFT | Default Spin | B3LYP |
Basis Set | 3-21G | |||
Charge | 0 | Spin | Singlet |
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Date/Time | Dimensions | User | Comment | |
---|---|---|---|---|
current | 14:20, 18 February 2013 | 1,272 × 915 (283 KB) | Jag310 (talk | contribs) |
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