Main public logs

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13:17, 12 March 2010 Af706 talk contribs uploaded File:3PHY ONIOM Optimisation Frequency EE.gjf
15:38, 8 December 2009 Af706 talk contribs uploaded File:More charge B3LYP 6 31G(d).mol
14:11, 8 December 2009 Af706 talk contribs uploaded File:1W7S FINALgjf.gjf
13:45, 7 December 2009 Af706 talk contribs uploaded File:More Charge B3LYP 6-31G(d).gjf
16:58, 3 December 2009 Af706 talk contribs uploaded File:1W7S qeq opt ready.log
16:56, 3 December 2009 Af706 talk contribs uploaded File:1W7S qeq opt ready.log
16:54, 3 December 2009 Af706 talk contribs uploaded File:1W7S qeq opt ready.gjf
16:47, 3 December 2009 Af706 talk contribs uploaded File:1W7S -6 qeq charges.log
16:45, 3 December 2009 Af706 talk contribs uploaded File:1W7S -6 qeq charges.gjf
16:41, 3 December 2009 Af706 talk contribs uploaded File:1W7S cleaned energy AMBER charges.log
16:37, 3 December 2009 Af706 talk contribs uploaded File:1W7S cleaned wildcards frozen.gjf
16:26, 3 December 2009 Af706 talk contribs uploaded File:1W7S cleaned pH 7.gjf
16:23, 3 December 2009 Af706 talk contribs uploaded File:1W7S Chain A cleaned.gjf
16:20, 3 December 2009 Af706 talk contribs uploaded File:1W7S Chain A.gjf
16:08, 3 December 2009 Af706 talk contribs uploaded File:1W7S.pdb
13:58, 27 November 2009 Af706 talk contribs uploaded File:Chromopre molecule B3LYP 6-31G(d).mol
17:56, 26 November 2009 Af706 talk contribs uploaded File:Protein1 AMBER OPT qeq.mol
15:51, 24 November 2009 Af706 talk contribs uploaded File:Biomolecule1.mol
15:49, 24 November 2009 Af706 talk contribs uploaded File:Biomolecule1.mol
15:32, 24 November 2009 Af706 talk contribs uploaded File:Biomolecule 1.mol
13:38, 24 November 2009 Af706 talk contribs uploaded File:Protein no yes.mol
13:37, 24 November 2009 Af706 talk contribs uploaded File:Protein yes no.mol
13:30, 24 November 2009 Af706 talk contribs uploaded File:Protein yes yes.mol
17:36, 18 November 2009 Af706 talk contribs uploaded File:PDB PROTON.png
17:35, 18 November 2009 Af706 talk contribs uploaded File:TINKER PROTON.png
15:53, 9 November 2009 Af706 talk contribs uploaded File:Atoms involving undefined parameters.png
15:52, 9 November 2009 Af706 talk contribs uploaded File:Atoms involving undefined parameters.png
15:04, 2 November 2009 Af706 talk contribs uploaded File:HBDI B3LYP 6-311G+(d,p) FREQ.mol2
14:54, 2 November 2009 Af706 talk contribs uploaded File:BCl3 FREQ test.log
14:32, 2 November 2009 Af706 talk contribs uploaded File:HBDI B3LYP 6-311G+(d,p) FREQ.log
14:28, 2 November 2009 Af706 talk contribs uploaded File:HBDI B3LYP 6-311G+(d,p) FREQ.out
14:28, 2 November 2009 Af706 talk contribs uploaded File:HBDI B3LYP 6-311G+(d,p) FREQ.out
14:26, 2 November 2009 Af706 talk contribs uploaded File:HBDI B3LYP 6-311G+(d,p) FREQ.mol
14:23, 2 November 2009 Af706 talk contribs uploaded File:TRYLOG.LOG
14:21, 2 November 2009 Af706 talk contribs uploaded File:HBDI HF 6-31G(d).out
14:11, 2 November 2009 Af706 talk contribs uploaded File:HBDI HF 6-31G(d).log
14:09, 2 November 2009 Af706 talk contribs uploaded File:HBDI HF 6-31G(d).out
14:06, 2 November 2009 Af706 talk contribs uploaded File:HBDI HF 6-31G(d).out
14:03, 2 November 2009 Af706 talk contribs uploaded File:HBDI HF 6-31G(d).mol
18:28, 28 October 2009 Af706 talk contribs uploaded File:ONIOM B3LYP 6-311G AMBER2.mol
15:44, 28 October 2009 Af706 talk contribs uploaded File:ONIOM B3LYP 6-311G AMBER.mol
15:39, 28 October 2009 Af706 talk contribs uploaded File:ONIOM B3LYP 6-311G AMBER.mol
15:20, 28 October 2009 Af706 talk contribs uploaded File:HBDI MP2 6-31G FREQ.mol
15:15, 28 October 2009 Af706 talk contribs uploaded File:HBDI MP2 6-31G FREQ.out
12:50, 27 February 2009 Af706 talk contribs uploaded File:Log 14649.out
12:39, 27 February 2009 Af706 talk contribs uploaded File:Stepwise.jpg
12:07, 27 February 2009 Af706 talk contribs uploaded File:Reaction scheme444.jpg
19:24, 25 February 2009 Af706 talk contribs uploaded File:Exo LUMO.jpg
19:24, 25 February 2009 Af706 talk contribs uploaded File:Exo HOMO.jpg
19:20, 25 February 2009 Af706 talk contribs uploaded File:Exo HOMO.jpg