User contributions for Cyk13
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20 October 2015
- 15:5415:54, 20 October 2015 diff hist −250 Template:Cyk13 No edit summary current
- 15:5315:53, 20 October 2015 diff hist +969 Rep:Mod:Transition States cyk13 →Transition State Optimisation: Cyclohexa-1,3-diene and Maleic Anhydride
- 15:4015:40, 20 October 2015 diff hist 0 N File:4-2 EXO TS.LOG No edit summary current
- 15:4015:40, 20 October 2015 diff hist 0 N File:4-4 ENDO TS.LOG No edit summary current
- 15:4015:40, 20 October 2015 diff hist +1,142 Rep:Mod:Transition States cyk13 →Transition State Optimisation: Cyclohexa-1,3-diene and Maleic Anhydride
- 15:3015:30, 20 October 2015 diff hist +559 Rep:Mod:Transition States cyk13 →Optimization: Cyclohexa-1,3-diene and Maleic Anhydride
- 15:2515:25, 20 October 2015 diff hist 0 N File:4-1-4 ENDO.LOG No edit summary current
- 15:2515:25, 20 October 2015 diff hist 0 N File:4-1-3 EXO.LOG No edit summary current
- 15:2515:25, 20 October 2015 diff hist 0 N File:4-1-2 MALEIC.LOG No edit summary current
- 15:2415:24, 20 October 2015 diff hist +1 Rep:Mod:Transition States cyk13 →Optimization: Cyclohexa-1,3-diene and Maleic Anhydride
- 15:2415:24, 20 October 2015 diff hist 0 N File:4-1-1 DIENE.LOG No edit summary current
- 15:2415:24, 20 October 2015 diff hist +1,820 Rep:Mod:Transition States cyk13 →Optimization: Cyclohexa-1,3-diene and Maleic Anhydride
- 15:1515:15, 20 October 2015 diff hist +211 Rep:Mod:Transition States cyk13 →Diels Alder Cycloaddition
- 15:0615:06, 20 October 2015 diff hist 0 N File:3-5-2 TS OPT QST2 3.LOG No edit summary current
- 15:0615:06, 20 October 2015 diff hist +1,509 Rep:Mod:Transition States cyk13 →Transition State Optimization
- 14:5114:51, 20 October 2015 diff hist +1 Rep:Mod:Transition States cyk13 →Optimization: Butadiene and Ethene
- 14:5014:50, 20 October 2015 diff hist +10 Rep:Mod:Transition States cyk13 →Transition State Optimization
- 14:4914:49, 20 October 2015 diff hist +2 Rep:Mod:Transition States cyk13 →TS (Berny) Optimization
- 14:4914:49, 20 October 2015 diff hist +4 Rep:Mod:Transition States cyk13 →Transition State Optimization
- 14:4814:48, 20 October 2015 diff hist 0 N File:3-3 TS.LOG No edit summary current
- 14:4814:48, 20 October 2015 diff hist 0 N File:3-1-2 CYCLOHEXENE.LOG No edit summary current
- 14:4814:48, 20 October 2015 diff hist 0 N File:3-1-1 ALKENE.LOG No edit summary current
- 14:4814:48, 20 October 2015 diff hist 0 N File:3-1 BUTADIENE.LOG No edit summary current
- 14:4814:48, 20 October 2015 diff hist +476 Rep:Mod:Transition States cyk13 →Diels Alder Cycloaddition
- 14:4414:44, 20 October 2015 diff hist +569 Rep:Mod:Transition States cyk13 →Transition State Optimization
- 14:3514:35, 20 October 2015 diff hist +121 Rep:Mod:Transition States cyk13 →Transition State Optimization
- 14:3414:34, 20 October 2015 diff hist −1 Rep:Mod:Transition States cyk13 →Optimization: Butadiene and Ethene
- 14:3314:33, 20 October 2015 diff hist +2 Rep:Mod:Transition States cyk13 →Optimization: Butadiene and Ethene
- 14:3314:33, 20 October 2015 diff hist +1,291 Rep:Mod:Transition States cyk13 →Diels Alder Cycloaddition
- 14:1014:10, 20 October 2015 diff hist +134 Rep:Mod:Transition States cyk13 →Re-optimization
- 14:0714:07, 20 October 2015 diff hist 0 N File:2-10-3 BOAT TSOPT 6-31G.LOG No edit summary current
- 14:0714:07, 20 October 2015 diff hist 0 N File:2-10-1 CHAIR TSOPT 6-31G.LOG No edit summary current
- 14:0114:01, 20 October 2015 diff hist +7 Rep:Mod:Transition States cyk13 →Activation Energies
- 14:0014:00, 20 October 2015 diff hist +778 Rep:Mod:Transition States cyk13 →Re-optimization
- 13:5513:55, 20 October 2015 diff hist +226 Rep:Mod:Transition States cyk13 →Activation Energies
- 13:5013:50, 20 October 2015 diff hist +216 Rep:Mod:Transition States cyk13 →Intrinsic Reaction Coordinate
- 13:4713:47, 20 October 2015 diff hist +1,133 Rep:Mod:Transition States cyk13 →Intrinsic Reaction Coordinate
- 13:3013:30, 20 October 2015 diff hist +1 Rep:Mod:Transition States cyk13 →Optimization by Freeze Coordinate: Chair
- 13:3013:30, 20 October 2015 diff hist 0 N File:2-5-1 CHAIR OPT FREEZE 2 FREQ.LOG No edit summary current
- 13:2913:29, 20 October 2015 diff hist 0 N File:2-7-2 BOAT OPT 2.LOG No edit summary current
- 13:2913:29, 20 October 2015 diff hist 0 N File:2-5-2 CHAIR OPT FREEZE 2.LOG No edit summary current
- 13:2813:28, 20 October 2015 diff hist 0 N File:2-3-1 CHAIR OPT.LOG No edit summary current
- 13:2513:25, 20 October 2015 diff hist +280 Rep:Mod:Transition States cyk13 →Transition State Optimization
- 13:2013:20, 20 October 2015 diff hist +17 Rep:Mod:Transition States cyk13 →TS (QST2) Optimization: Boat
- 13:1813:18, 20 October 2015 diff hist +6 Rep:Mod:Transition States cyk13 →Transition State Optimization
- 13:1713:17, 20 October 2015 diff hist +1,470 Rep:Mod:Transition States cyk13 →Transition State Optimization
- 13:0113:01, 20 October 2015 diff hist +318 Rep:Mod:Transition States cyk13 →Transition State Optimization
- 12:5612:56, 20 October 2015 diff hist −34 Rep:Mod:Transition States cyk13 No edit summary
- 12:5312:53, 20 October 2015 diff hist +1 Rep:Mod:Transition States cyk13 →Optimization
- 12:5212:52, 20 October 2015 diff hist +1,270 Rep:Mod:Transition States cyk13 →Transition State Optimization