User contributions for Rg2010
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8 March 2013
- 17:1317:13, 8 March 2013 diff hist 0 File:RSG BoatTS.mol2 uploaded a new version of "File:RSG BoatTS.mol2": Reverted to version as of 17:09, 8 March 2013 current
- 17:1317:13, 8 March 2013 diff hist 0 File:RSG BoatTS.mol2 uploaded a new version of "File:RSG BoatTS.mol2"
- 17:0917:09, 8 March 2013 diff hist 0 N File:RSG BoatTS.mol2 No edit summary
- 17:0617:06, 8 March 2013 diff hist +409 Rep:Mod:Rachel Gregory Mod3 →Optimisation using the QST3 Method
- 16:5416:54, 8 March 2013 diff hist 0 N File:RSG OPTANDFREQ BOAT QST3 ATTEMPT4.LOG No edit summary current
- 16:5416:54, 8 March 2013 diff hist 0 File:RSG OptandFreq Boat QST3 Attempt1.gjf uploaded a new version of "File:RSG OptandFreq Boat QST3 Attempt1.gjf" current
- 16:3416:34, 8 March 2013 diff hist 0 File:RSG OptandFreq Boat QST3 Attempt1.gjf uploaded a new version of "File:RSG OptandFreq Boat QST3 Attempt1.gjf"
- 16:0816:08, 8 March 2013 diff hist 0 N File:RSG OptandFreq Boat QST3 Attempt1.gjf No edit summary
- 16:0716:07, 8 March 2013 diff hist +209 Rep:Mod:Rachel Gregory Mod3 →Optimisation using the QS2 Method
- 15:5115:51, 8 March 2013 diff hist +16 Rep:Mod:Rachel Gregory Mod3 →Optimisation using the QS2 Method
- 15:4915:49, 8 March 2013 diff hist +476 Rep:Mod:Rachel Gregory Mod3 →Optimisation using the QS2 Method
- 15:4815:48, 8 March 2013 diff hist +326 Rep:Mod:Rachel Gregory Mod3 →Optimisation using the QS2 Method
- 15:4515:45, 8 March 2013 diff hist 0 N File:RSG OptandFreq Boat QST2 Reactant.mol2 No edit summary current
- 15:4515:45, 8 March 2013 diff hist 0 N File:RSG OptandFreq Boat QST2 Product.mol2 No edit summary current
- 15:3915:39, 8 March 2013 diff hist 0 N File:RSG OPTANDFREQ BOAT QST2 TRY3.LOG No edit summary current
- 15:2315:23, 8 March 2013 diff hist 0 N File:RSG OPTANDFREQ BOAT QST2 TRY2.LOG No edit summary current
- 15:1715:17, 8 March 2013 diff hist +276 Rep:Mod:Rachel Gregory Mod3 →Frequency Analysis of the Anti 4 Conformer
- 15:1315:13, 8 March 2013 diff hist 0 N File:CONF4 631G FREQ TEMP0.LOG No edit summary current
- 15:0915:09, 8 March 2013 diff hist 0 N File:CONF4 631G Freq Temp0.gjf No edit summary current
- 14:5714:57, 8 March 2013 diff hist +105 Rep:Mod:Rachel Gregory Mod3 →Optimisation using the QS2 Method
- 14:1014:10, 8 March 2013 diff hist +1,247 Rep:Mod:Rachel Gregory Mod3 →Optimisation using the QS2 Method
7 March 2013
- 16:0716:07, 7 March 2013 diff hist +661 Rep:Mod:Rachel Gregory Mod3 →Optimisation using the QS2 Method
- 16:0116:01, 7 March 2013 diff hist 0 N File:RSG BoatTS1 Fail.gjf No edit summary current
- 16:0016:00, 7 March 2013 diff hist 0 N File:RSG BoatTS1 Fail Reactant.mol2 No edit summary current
- 16:0016:00, 7 March 2013 diff hist 0 N File:RSG BoatTS1 Fail Product.mol2 No edit summary current
- 15:4015:40, 7 March 2013 diff hist +46 Rep:Mod:Rachel Gregory Mod3 →Optimising the "Boat" Transition Structure
- 15:3615:36, 7 March 2013 diff hist +2 Rep:Mod:Rachel Gregory Mod3 →Optimisation using the Frozen Coordinate System
- 15:3615:36, 7 March 2013 diff hist +2 Rep:Mod:Rachel Gregory Mod3 →Optimisation by computation of the Force Constant Matrix (The Hessian)
- 15:3615:36, 7 March 2013 diff hist −12 Rep:Mod:Rachel Gregory Mod3 →Optimising the "Chair" and "Boat" Transition Structures
- 15:3615:36, 7 March 2013 diff hist +480 Rep:Mod:Rachel Gregory Mod3 →Optimisation using the Frozen Coordinate System
- 15:3315:33, 7 March 2013 diff hist 0 N File:CHAIR TS FROZEN COORD5.LOG No edit summary current
- 15:3215:32, 7 March 2013 diff hist 0 N File:Chair TS Frozen Coord5.gjf No edit summary current
- 15:1815:18, 7 March 2013 diff hist +744 Rep:Mod:Rachel Gregory Mod3 →Optimisation using the Frozen Coordinate System
- 15:0515:05, 7 March 2013 diff hist 0 File:Chair TS Frozen Coord.gjf uploaded a new version of "File:Chair TS Frozen Coord.gjf" current
- 15:0415:04, 7 March 2013 diff hist +776 Rep:Mod:Rachel Gregory Mod3 →Optimising the "Chair" and "Boat" Transition Structures
- 15:0115:01, 7 March 2013 diff hist 0 File:Chair TS Frozen Coord.chk uploaded a new version of "File:Chair TS Frozen Coord.chk" current
- 14:0514:05, 7 March 2013 diff hist 0 N File:Chair TS Frozen Coord.chk No edit summary
- 14:0414:04, 7 March 2013 diff hist 0 N File:Chair TS Frozen Coord.gjf No edit summary
- 14:0314:03, 7 March 2013 diff hist 0 N File:CHAIR TS FROZEN COORD.LOG No edit summary current
- 12:3212:32, 7 March 2013 diff hist −2 Rep:Mod:Rachel Gregory Mod3 →Optimising the "Chair" and "Boat" Transition Structures
- 12:3112:31, 7 March 2013 diff hist −1 Rep:Mod:Rachel Gregory Mod3 →Optimising the "Chair" and "Boat" Transition Structures
- 12:3112:31, 7 March 2013 diff hist −1 Rep:Mod:Rachel Gregory Mod3 →Optimising the "Chair" and "Boat" Transition Structures
- 12:3012:30, 7 March 2013 diff hist −4 Rep:Mod:Rachel Gregory Mod3 →Optimising the "Chair" and "Boat" Transition Structures
- 12:2912:29, 7 March 2013 diff hist +1 Rep:Mod:Rachel Gregory Mod3 →Optimising the "Chair" and "Boat" Transition Structures
- 12:2912:29, 7 March 2013 diff hist +668 Rep:Mod:Rachel Gregory Mod3 →Optimising the "Chair" and "Boat" Transition Structures
- 12:2912:29, 7 March 2013 diff hist 0 N File:Cope Rearrangement Animation RSG.gif No edit summary current
- 12:2512:25, 7 March 2013 diff hist 0 File:CHAIR TS GUESS1.LOG uploaded a new version of "File:CHAIR TS GUESS1.LOG"
- 12:2312:23, 7 March 2013 diff hist 0 N File:Chair TS Guess1.gjf No edit summary current
- 12:2312:23, 7 March 2013 diff hist 0 File:ALLYLFRAGMENT321GOPT.LOG uploaded a new version of "File:ALLYLFRAGMENT321GOPT.LOG" current