Jump to content

File:Bh3 bond changes.tif

From ChemWiki

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.

Julius is really cool

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
Method Ground State DFT Default Spin B3LYP
Basis Set 3-21G
Charge 0 Spin Singlet

File:BH3 OPTIMISATION 321G.LOG

File history

Click on a date/time to view the file as it appeared at that time.

Date/TimeDimensionsUserComment
current14:20, 18 February 20131,272 × 915 (283 KB)Jag310 (talk | contribs)

There are no pages that use this file.

Metadata