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User contributions for Kga08

Results for Kga08 talk block log uploads logs

A user with 1,342 edits. Account created on 23 October 2008.

13:5113:51, 22 March 2011 diff hist +114 m Rep:Mod:kga08module3wiki →Experimental: Optimisation of the Starting Materials
13:2313:23, 22 March 2011 diff hist +21 m Rep:Mod:kga08module3wiki →Higher Level Calculations for Activation Energy Determination
13:2213:22, 22 March 2011 diff hist +167 m Rep:Mod:kga08module3wiki →Higher Level Calculations for Activation Energy Determination
13:2113:21, 22 March 2011 diff hist +223 m Rep:Mod:kga08module3wiki →Higher Level Calculations for Activation Energy Determination
13:2013:20, 22 March 2011 diff hist +74 m Rep:Mod:kga08module3wiki →Finding the Transition States
13:1613:16, 22 March 2011 diff hist +226 m Rep:Mod:kga08module3wiki →Finding the Transition States
13:1413:14, 22 March 2011 diff hist 0 N File:TS FOUND V1 Exo starting geometry kga08.jpg No edit summary current
12:5412:54, 22 March 2011 diff hist +592 m Rep:Mod:kga08module3wiki →Experimental: Optimisation of the Starting Materials
12:4612:46, 22 March 2011 diff hist +303 m Rep:Mod:kga08module3wiki →Experimental: Optimisation of the Starting Materials
12:4412:44, 22 March 2011 diff hist +157 m Rep:Mod:kga08module3wiki →Experimental: Optimisation of the Starting Materials
12:4112:41, 22 March 2011 diff hist +6 m Rep:Mod:kga08module3wiki →Higher Level Calculations for Activation Energy Determination
12:4112:41, 22 March 2011 diff hist +110 m Rep:Mod:kga08module3wiki →Experimental: Optimisation of the Starting Materials
12:4112:41, 22 March 2011 diff hist 0 N File:Log 41919 CycloHexadiene OPTFREQ DFT v1 kga08.out No edit summary current
12:4012:40, 22 March 2011 diff hist 0 N File:Log 42077 MalAnh v1 DFT OPTFREQ kga08.out No edit summary current
12:3912:39, 22 March 2011 diff hist +136 m Rep:Mod:kga08module3wiki →Experimental: Optimisation of the Starting Materials
12:3412:34, 22 March 2011 diff hist +145 m Rep:Mod:kga08module3wiki →Experimental: Optimisation of the Starting Materials
12:2712:27, 22 March 2011 diff hist +1,215 m Rep:Mod:kga08module3wiki →Higher Level Calculations for Activation Energy Determination
12:2012:20, 22 March 2011 diff hist +508 m Rep:Mod:kga08module3wiki →Higher Level Calculations for Activation Energy Determination
12:0712:07, 22 March 2011 diff hist +71 m Rep:Mod:kga08module3wiki →Locating the Transition State of the Reaction

19:0419:04, 21 March 2011 diff hist +7 m Rep:Mod:kga08module3wiki →Locating the Transition State of the Reaction
18:5618:56, 21 March 2011 diff hist +316 m Rep:Mod:kga08module3wiki →Locating the Transition State of the Reaction
18:5318:53, 21 March 2011 diff hist +280 m Rep:Mod:kga08module3wiki →Locating the Transition State of the Reaction
18:4518:45, 21 March 2011 diff hist +54 Rep:Mod:kga08module3wiki →Locating the Transition State of the Reaction
18:4318:43, 21 March 2011 diff hist 0 N File:Reaction Coordinate Graph.jpg No edit summary current
18:2618:26, 21 March 2011 diff hist +233 m Rep:Mod:kga08module3wiki →Locating the Transition State of the Reaction
18:2418:24, 21 March 2011 diff hist +213 m Rep:Mod:kga08module3wiki →Locating the Transition State of the Reaction
18:2118:21, 21 March 2011 diff hist +171 m Rep:Mod:kga08module3wiki →Locating the Transition State of the Reaction
18:2018:20, 21 March 2011 diff hist 0 N File:TS FOUND V1 IRC fw Graph kga08.jpg No edit summary current
18:1818:18, 21 March 2011 diff hist 0 N File:TS FOUND V1 IRC rv graph kga08.jpg No edit summary current
18:0918:09, 21 March 2011 diff hist −1 m Rep:Mod:kga08module3wiki →Analysis of the Hexadiene Optimisations
18:0718:07, 21 March 2011 diff hist −1 Rep:Mod:kga08module3wiki →Analysis of the Hexadiene Optimisations
18:0218:02, 21 March 2011 diff hist +170 m Rep:Mod:kga08module3wiki →Locating the Transition State of the Reaction
18:0218:02, 21 March 2011 diff hist 0 N File:TS FOUND V1 IRC rv Final kga08.jpg No edit summary current
18:0018:00, 21 March 2011 diff hist 0 N File:TS FOUND V1 IRC fw Final kga08.jpg No edit summary current
17:5517:55, 21 March 2011 diff hist +189 m Rep:Mod:kga08module3wiki →Locating the Transition State of the Reaction
17:3417:34, 21 March 2011 diff hist +432 m Rep:Mod:kga08module3wiki →Locating the Transition State of the Reaction
17:2817:28, 21 March 2011 diff hist +264 Rep:Mod:kga08module3wiki →Locating the Transition State of the Reaction
17:2717:27, 21 March 2011 diff hist 0 N File:TS GUESS 3 KGA08 DFT.LOG No edit summary current
17:2517:25, 21 March 2011 diff hist +271 m Rep:Mod:kga08module3wiki →Locating the Transition State of the Reaction
17:2417:24, 21 March 2011 diff hist 0 N File:But Vectors Joined kga08.jpg No edit summary current
17:1317:13, 21 March 2011 diff hist +323 m Rep:Mod:kga08module3wiki →Locating the Transition State of the Reaction
17:0917:09, 21 March 2011 diff hist +569 m Rep:Mod:kga08module3wiki →Locating the Transition State of the Reaction
17:0917:09, 21 March 2011 diff hist 0 N File:But Sumamry fail of OPTtoTS kga08.jpg No edit summary current
17:0517:05, 21 March 2011 diff hist 0 N File:But FinalSummary Opt to TS kga08.jpg No edit summary current
16:4216:42, 21 March 2011 diff hist +207 m Rep:Mod:kga08module3wiki →Frontier Orbitals of the Fragments
16:0416:04, 21 March 2011 diff hist +18 m Rep:Mod:kga08module3wiki →Experimental: Butadiene and Ethylene
16:0216:02, 21 March 2011 diff hist +301 m Rep:Mod:kga08module3wiki →Experimental: Butadiene and Ethylene
15:5715:57, 21 March 2011 diff hist +2 m Rep:Mod:kga08module3wiki →Frontier Orbitals of the Fragments
15:5415:54, 21 March 2011 diff hist +119 m Rep:Mod:kga08module3wiki →Frontier Orbitals of the Fragments
15:5115:51, 21 March 2011 diff hist 0 N File:Ethylene HOMO kga08.jpg2 No edit summary current

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