User contributions for Ss8810
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2 November 2012
- 10:1410:14, 2 November 2012 diff hist 0 N File:Dielsalder ts negfreq.gif No edit summary current
- 10:1210:12, 2 November 2012 diff hist 0 N File:Dielsalder tsberny optfreq.log No edit summary current
- 10:0010:00, 2 November 2012 diff hist +292 Rep:Mod:30706 →Ethylene and cis-Butadiene Transition Structure
- 09:5809:58, 2 November 2012 diff hist 0 N File:Dielsalder ts geom.PNG No edit summary current
- 09:5609:56, 2 November 2012 diff hist 0 N File:Dielsalder tsberny optfreq LUMO.PNG No edit summary current
- 09:5509:55, 2 November 2012 diff hist 0 N File:Dielsalder tsberny optfreq HOMO.PNG No edit summary current
- 00:5500:55, 2 November 2012 diff hist +7 Rep:Mod:30706 →Ethylene and cis-Butadiene Transition Structure
- 00:5500:55, 2 November 2012 diff hist −1,290 Rep:Mod:30706 →Ethylene and cis-Butadiene Transition Structure
- 00:5300:53, 2 November 2012 diff hist +2,156 Rep:Mod:30706 →Ethylene and cis-Butadiene Transition Structure
- 00:3000:30, 2 November 2012 diff hist 0 Rep:Mod:30706 →Ethylene and cis-Butadiene Transition Structure
- 00:2900:29, 2 November 2012 diff hist +206 Rep:Mod:30706 →Ethylene and cis-Butadiene Transition Structure
- 00:2300:23, 2 November 2012 diff hist +619 Rep:Mod:30706 →Discussion
1 November 2012
- 22:0222:02, 1 November 2012 diff hist +16 Rep:Mod:30706 →Computation of Transition State
- 21:5121:51, 1 November 2012 diff hist 0 Rep:Mod:30706 →Computation of Transition State
- 21:5021:50, 1 November 2012 diff hist +2,912 Rep:Mod:30706 →Optimisation of Butadiene
- 21:3821:38, 1 November 2012 diff hist 0 N File:Dielsalder tsberny optfreq.mol No edit summary current
- 21:2321:23, 1 November 2012 diff hist 0 N File:Dielsalder ts guess22.PNG No edit summary current
- 21:2321:23, 1 November 2012 diff hist 0 N File:Dielsalder ts guess.PNG No edit summary current
- 17:5217:52, 1 November 2012 diff hist +8 Rep:Mod:30706 →Optimisation of Butadiene
- 17:5017:50, 1 November 2012 diff hist +271 Rep:Mod:30706 →Optimisation of Butadiene
- 17:4417:44, 1 November 2012 diff hist +968 Rep:Mod:30706 →Diels Alder Cycloaddition
- 17:4217:42, 1 November 2012 diff hist 0 N File:Lumo cisbutadiene.PNG No edit summary current
- 17:4117:41, 1 November 2012 diff hist 0 N File:Homo cisbutadiene.PNG No edit summary current
- 16:2016:20, 1 November 2012 diff hist +803 Rep:Mod:30706 No edit summary
28 October 2012
- 18:0818:08, 28 October 2012 diff hist +257 N Rep:Mod:30706 Created page with "=Cope Rearrangement= ==Optimising Reactants:1,5-hexadiene== ===Anti Conformer=== <b>Total Energy:</b> -231.68539621 a.u. <b>Point Group:</b> C<sub>2h</sub> ===Gauche Conformer..."
19 October 2012
- 15:5915:59, 19 October 2012 diff hist −18 Rep:Mod:07062 No edit summary
- 15:5915:59, 19 October 2012 diff hist +753 Rep:Mod:07062 No edit summary
- 15:3815:38, 19 October 2012 diff hist 0 Rep:Mod:07062 →Frequency Analysis
- 15:3515:35, 19 October 2012 diff hist −724 Rep:Mod:07062 →=Pyridinium
- 15:2915:29, 19 October 2012 diff hist −1,823 Rep:Mod:07062 →Boratabenzene
- 15:1315:13, 19 October 2012 diff hist 0 Rep:Mod:07062 →Frequency Analysis
- 15:1315:13, 19 October 2012 diff hist +408 Rep:Mod:07062 →NBO Analysis
- 15:0115:01, 19 October 2012 diff hist +2 Rep:Mod:07062 →NBO Analysis
- 15:0115:01, 19 October 2012 diff hist −622 Rep:Mod:07062 →Mini Project: Investgating Aromaticity
- 14:4514:45, 19 October 2012 diff hist −56 Rep:Mod:07062 →Ammonia Borane
- 14:3814:38, 19 October 2012 diff hist 0 File:NH3BH3 optimisation summary.PNG uploaded a new version of "File:NH3BH3 optimisation summary.PNG"
- 14:2814:28, 19 October 2012 diff hist +2 Rep:Mod:07062 No edit summary
- 14:2614:26, 19 October 2012 diff hist 0 Rep:Mod:07062 →NBO Analysis
- 14:2614:26, 19 October 2012 diff hist −1 Rep:Mod:07062 →NBO Analysis
- 14:2514:25, 19 October 2012 diff hist 0 Rep:Mod:07062 →NBO Analysis
- 14:2514:25, 19 October 2012 diff hist −2 Rep:Mod:07062 →NBO Analysis
- 14:2414:24, 19 October 2012 diff hist +1 Rep:Mod:07062 →Frequency Analysis=
- 14:2414:24, 19 October 2012 diff hist +429 Rep:Mod:07062 →BH3
- 13:5613:56, 19 October 2012 diff hist 0 Rep:Mod:07062 →BH3 vibartional analysis
- 13:5613:56, 19 October 2012 diff hist +1,046 Rep:Mod:07062 →Population Analysis
- 13:2613:26, 19 October 2012 diff hist +782 Rep:Mod:07062 →TlBr3 vibartional analysis
- 12:5112:51, 19 October 2012 diff hist −97 Rep:Mod:07062 →TlBr3 vibartional analysis
- 12:4312:43, 19 October 2012 diff hist 0 Rep:Mod:07062 →BH3 vibartional analysis
- 12:4312:43, 19 October 2012 diff hist +717 Rep:Mod:07062 →Frequency
- 12:0212:02, 19 October 2012 diff hist +796 Rep:Mod:07062 No edit summary