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User contributions for Rv108

Results for Rv108 talk block log uploads logs

A user with 997 edits. Account created on 17 January 2011.

14:2414:24, 15 February 2011 diff hist +356 Rep:Mod:rvirdee3 →''Boat Transition State via QST2 Calculation:''
14:2114:21, 15 February 2011 diff hist 0 Rep:Mod:rvirdee3 →''Boat Transition State via QST2 Calculation:''
14:2014:20, 15 February 2011 diff hist 0 N File:Correct boat ts IRC progress.jpeg No edit summary current
14:2014:20, 15 February 2011 diff hist 0 N File:Correct boat ts last step of IRC.jpeg No edit summary current
14:2014:20, 15 February 2011 diff hist 0 N File:Correct boat ts 1st step of IRC.jpeg No edit summary current
14:2014:20, 15 February 2011 diff hist +401 Rep:Mod:rvirdee3 →''Boat Transition State via QST2 Calculation:''
14:1314:13, 15 February 2011 diff hist +379 Rep:Mod:rvirdee3 →''Boat Transition State via QST2 Calculation:''
14:0014:00, 15 February 2011 diff hist 0 Rep:Mod:rvirdee3 →''Boat Transition State via QST2 Calculation:''
13:5913:59, 15 February 2011 diff hist +12 Rep:Mod:rvirdee3 →''Boat Transition State via QST2 Calculation:''
13:5913:59, 15 February 2011 diff hist +59 Rep:Mod:rvirdee3 →''Boat Transition State via QST2 Calculation:''
13:5613:56, 15 February 2011 diff hist 0 Rep:Mod:rvirdee3 →''Boat Transition State via QST2 Calculation:''
13:5513:55, 15 February 2011 diff hist 0 Rep:Mod:rvirdee3 →''Boat Transition State via QST2 Calculation:''
13:5413:54, 15 February 2011 diff hist 0 N File:Vibration causing reaction from correct boat transition state.jpeg No edit summary current
13:5413:54, 15 February 2011 diff hist 0 N File:Correct calculated boat transition state.jpeg No edit summary current
13:5313:53, 15 February 2011 diff hist 0 N File:Boat ts for molfile.mol No edit summary current
13:5313:53, 15 February 2011 diff hist +564 Rep:Mod:rvirdee3 →''Boat Transition State via QST2 Calculation:''
13:1713:17, 15 February 2011 diff hist +2 Rep:Mod:rvirdee3 →''Chair Transition State via Freezing Coordinates:''
13:1713:17, 15 February 2011 diff hist +2 Rep:Mod:rvirdee3 →''Finding the Transition States:''
13:1613:16, 15 February 2011 diff hist +1 Rep:Mod:rvirdee3 →''Chair Transition State via Calculating Force Constant Matrix:''
13:1613:16, 15 February 2011 diff hist 0 Rep:Mod:rvirdee3 →''Chair Transition State via Calculating Force Constant Matrix:''
13:1613:16, 15 February 2011 diff hist +1 Rep:Mod:rvirdee3 →''Frequency Calculation of DFT Optimised Structure:''
13:1513:15, 15 February 2011 diff hist +1 Rep:Mod:rvirdee3 →''DFT Optimisation of Anti Conformation 2 (C<sub>i</sub> symmetry):''
13:1513:15, 15 February 2011 diff hist +2 Rep:Mod:rvirdee3 →''DFT Optimisation of Anti Conformation 2 (C<sub>i</sub> symmetry):''
13:1413:14, 15 February 2011 diff hist +2 Rep:Mod:rvirdee3 →''Anti Conformation 2 (C<sub>i</sub> symmetry):''
13:1413:14, 15 February 2011 diff hist +1 Rep:Mod:rvirdee3 →''Gauche Conformation 2 (High Energy):''
13:1413:14, 15 February 2011 diff hist +1 Rep:Mod:rvirdee3 →''Gauche Conformation 2 (High Energy):''
13:1413:14, 15 February 2011 diff hist +3 Rep:Mod:rvirdee3 →''Gauche Conformation 1:''
13:1313:13, 15 February 2011 diff hist +1 Rep:Mod:rvirdee3 →''Anti Conformation 1:''
13:1313:13, 15 February 2011 diff hist +4 Rep:Mod:rvirdee3 →''Boat Transition State via QST2 Calculation:''
13:1313:13, 15 February 2011 diff hist +292 Rep:Mod:rvirdee3 →''Boat Transition State via QST2 Calculation:''
13:1113:11, 15 February 2011 diff hist 0 N File:Final geometry for correct boat QST2 calculation.jpeg No edit summary current
13:1013:10, 15 February 2011 diff hist 0 N File:Starting geometry for correct boat QST2 calculation.jpeg No edit summary current
13:1013:10, 15 February 2011 diff hist +298 Rep:Mod:rvirdee3 →''Boat Transition State via QST2 Calculation:''
13:0313:03, 15 February 2011 diff hist +667 Rep:Mod:rvirdee3 →''Boat Transition State via QST2 Calculation:''
12:5712:57, 15 February 2011 diff hist 0 Rep:Mod:rvirdee3 →''Boat Transition State via QST2 Calculation:''
12:5612:56, 15 February 2011 diff hist 0 Rep:Mod:rvirdee3 →''Boat Transition State via QST2 Calculation:''
12:5512:55, 15 February 2011 diff hist 0 N File:Wrong boat ts IRC progress.jpeg No edit summary current
12:5512:55, 15 February 2011 diff hist 0 N File:Wrong boat ts last step of IRC.jpeg No edit summary current
12:5512:55, 15 February 2011 diff hist 0 N File:Wrong boat ts 1st step of IRC.jpeg No edit summary current
12:5412:54, 15 February 2011 diff hist +394 Rep:Mod:rvirdee3 →''Boat Transition State via QST2 Calculation:''

15:3615:36, 14 February 2011 diff hist +350 Rep:Mod:rvirdee3 →''Boat Transition State via QST2 Calculation:''
15:1915:19, 14 February 2011 diff hist 0 N File:Vibration causing reaction from wrong boat transition state.jpeg No edit summary current
15:1915:19, 14 February 2011 diff hist 0 N File:Wrong calculated boat transition state.jpeg No edit summary current
15:1815:18, 14 February 2011 diff hist 0 N File:Schematic of wrong boat transition state.jpeg No edit summary current
15:1815:18, 14 February 2011 diff hist +564 Rep:Mod:rvirdee3 →''Boat Transition State via QST2 Calculation:''
15:1615:16, 14 February 2011 diff hist 0 N File:Wrong boat ts for molfile.mol No edit summary current
15:0515:05, 14 February 2011 diff hist +192 Rep:Mod:rvirdee3 →''Boat Transition State via QST2 Calculation:''
15:0315:03, 14 February 2011 diff hist 0 N File:Final geometry for QST2 calculation.jpeg No edit summary current
15:0315:03, 14 February 2011 diff hist 0 N File:Starting geometry for QST2 calculation.jpeg No edit summary current
15:0315:03, 14 February 2011 diff hist +273 Rep:Mod:rvirdee3 →''Boat Transition State via QST2 Calculation:''

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