File:TLBR31STOPT.LOG
TLBR31STOPT.LOG (file size: 42 KB, MIME type: text/plain)
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tlbr3 optimisation gaussview
"Hartree-Fock" to pick "DFT", some of the entries will change, find the pull-down menu that says "B3LYP", this is the method we are going to use, but have a look and see what the other options are (don't change from B3LYP!)
LanL2DZ
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| Date/Time | Dimensions | User | Comment | |
|---|---|---|---|---|
| current | 15:09, 19 February 2013 | (42 KB) | Ck1510 (talk | contribs) | tlbr3 optimisation gaussview "Hartree-Fock" to pick "DFT", some of the entries will change, find the pull-down menu that says "B3LYP", this is the method we are going to use, but have a look and see what the other options are (don't change from B3LYP!) |
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