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User contributions for Pl1208

Results for Pl1208 talk block log uploads logs

A user with 1,380 edits. Account created on 15 February 2009.

19:1719:17, 20 March 2011 diff hist +334 Rep:Sunkiss pl1208 3 →Reconfirming the attainment of the transition state
19:1719:17, 20 March 2011 diff hist 0 N File:FINAL pl1208 n=170.JPG No edit summary current
19:1619:16, 20 March 2011 diff hist 0 N File:FIRST irc n=170.JPG No edit summary current
19:1419:14, 20 March 2011 diff hist 0 N File:TOTAL ENERGY IRC PL1208.JPG No edit summary current
19:0519:05, 20 March 2011 diff hist +181 Rep:Sunkiss pl1208 3 →Method 2 : Ts (Berny) via HF/3-21G and DFT/B3LYP/6-31G(d)
19:0019:00, 20 March 2011 diff hist +696 Rep:Sunkiss pl1208 3 →Method 2 : Ts (Berny) via HF/3-21G and DFT/B3LYP/6-31G(d)
18:5018:50, 20 March 2011 diff hist +1,237 Rep:Sunkiss pl1208 3 →Method 1 : QST2 via HF/3-21G and DFT/B3LYP/6-31G(d)
15:4115:41, 20 March 2011 diff hist 0 Rep:Sunkiss pl1208 3 →Method 1 : QST2 via HF/3-21G and DFT/B3LYP/6-31G(d)
15:4015:40, 20 March 2011 diff hist −312 Rep:Sunkiss pl1208 3 →Method 1 : QST2 via HF/3-21G and DFT/B3LYP/6-31G(d)
15:4015:40, 20 March 2011 diff hist 0 N File:Diagramdsgfsw.JPG No edit summary current
15:3915:39, 20 March 2011 diff hist 0 N File:FAILED 2asdfds.JPG No edit summary current
15:3815:38, 20 March 2011 diff hist 0 N File:Failed pl1208sf.JPG No edit summary current
15:2715:27, 20 March 2011 diff hist 0 Rep:Sunkiss pl1208 3 →Method 2 : Ts (Berny) via HF/3-21G and DFT/B3LYP/6-31G(d)
15:2515:25, 20 March 2011 diff hist 0 Rep:Sunkiss pl1208 3 →Method 2 : Ts (Berny) via HF/3-21G and DFT/B3LYP/6-31G(d)
15:2315:23, 20 March 2011 diff hist +1 Rep:Sunkiss pl1208 3 →Method 2 : Ts (Berny) via HF/3-21G and DFT/B3LYP/6-31G(d)
15:2315:23, 20 March 2011 diff hist 0 N File:Log 41834 20.txt No edit summary current
15:2215:22, 20 March 2011 diff hist 0 Rep:Sunkiss pl1208 3 →Method 2 : Ts (Berny) via HF/3-21G and DFT/B3LYP/6-31G(d)
15:2215:22, 20 March 2011 diff hist 0 N File:Log 41834 3.txt No edit summary current
15:2015:20, 20 March 2011 diff hist −299 Rep:Sunkiss pl1208 3 →Method 2 : Ts (Berny) via HF/3-21G and DFT/B3LYP/6-31G(d)
15:1915:19, 20 March 2011 diff hist 0 N File:Summary pl1208)as.JPG No edit summary current
15:1815:18, 20 March 2011 diff hist 0 N File:Diagram pl1208 asf.JPG No edit summary current
15:1815:18, 20 March 2011 diff hist 0 N File:Log 41835 2.txt No edit summary current
15:1715:17, 20 March 2011 diff hist 0 N File:Log 41834 2.txt No edit summary current
15:1115:11, 20 March 2011 diff hist 0 N File:Summary tsberny hf.JPG No edit summary current
15:1015:10, 20 March 2011 diff hist 0 N File:Checkpoint 41834.mol No edit summary current
15:0915:09, 20 March 2011 diff hist 0 N File:Diagram pl1208 tsberny.JPG No edit summary current
15:0015:00, 20 March 2011 diff hist −7 Rep:Sunkiss pl1208 3 →Method 1 : QST2 via HF/3-21G and DFT/B3LYP/6-31G(d)
14:5914:59, 20 March 2011 diff hist −3 Rep:Sunkiss pl1208 3 →Method 1 : QST2 via HF/3-21G and DFT/B3LYP/6-31G(d)
14:5714:57, 20 March 2011 diff hist +2,936 Rep:Sunkiss pl1208 3 →Method 1 : QST2 via HF/3-21G
14:4114:41, 20 March 2011 diff hist +768 Rep:Sunkiss pl1208 3 →Method 1 : QST2 via HF/3-21G
14:3514:35, 20 March 2011 diff hist +1 Rep:Sunkiss pl1208 3 →Method 1 : QST2 via HF/3-21G
14:3414:34, 20 March 2011 diff hist +1,697 Rep:Sunkiss pl1208 3 →Transition state Analysis
14:3314:33, 20 March 2011 diff hist 0 N File:FAILED 2.JPG No edit summary current
14:3014:30, 20 March 2011 diff hist 0 N File:Checkpoint 41836.mol No edit summary current
14:2914:29, 20 March 2011 diff hist 0 N File:Log 41837 2.txt No edit summary current
14:2814:28, 20 March 2011 diff hist 0 N File:Log 41836 2.txt No edit summary current
14:2014:20, 20 March 2011 diff hist 0 N File:Failed summary pl1208.JPG No edit summary current
14:1614:16, 20 March 2011 diff hist 0 N File:Failed pl1208.JPG No edit summary current
13:1513:15, 20 March 2011 diff hist +7 Rep:Sunkiss pl1208 3 →Transition state Analysis
13:1413:14, 20 March 2011 diff hist +988 Rep:Sunkiss pl1208 3 →Transition state Analysis
13:1413:14, 20 March 2011 diff hist 0 N File:Arraangement pl1208 qst2.JPG No edit summary current
12:4412:44, 20 March 2011 diff hist +732 Rep:Sunkiss pl1208 3 →HOMO-LUMO Analysis
12:3812:38, 20 March 2011 diff hist 0 N File:MO summary pl1208 23.bmp No edit summary current
11:4611:46, 20 March 2011 diff hist +2,065 Rep:Sunkiss pl1208 3 →HOMO-LUMO Analysis
11:2811:28, 20 March 2011 diff hist +327 Rep:Sunkiss pl1208 3 →HOMO-LUMO Analysis
11:2811:28, 20 March 2011 diff hist 0 N File:Summary pl1208 butadiene.JPG No edit summary current
11:2711:27, 20 March 2011 diff hist 0 N File:Summary pl1208 ethylene.JPG No edit summary current
11:2511:25, 20 March 2011 diff hist −6 Rep:Sunkiss pl1208 3 →HOMO-LUMO Analysis
11:2411:24, 20 March 2011 diff hist +8 Rep:Sunkiss pl1208 3 →HOMO-LUMO Analysis
11:2411:24, 20 March 2011 diff hist 0 Rep:Sunkiss pl1208 3 →HOMO-LUMO Analysis

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