User contributions for Gdb109
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14 February 2012
- 10:2510:25, 14 February 2012 diff hist 0 N File:Civibration7gdb.gif No edit summary current
- 10:2510:25, 14 February 2012 diff hist 0 N File:Civibration6gdb.gif No edit summary current
- 10:2510:25, 14 February 2012 diff hist 0 N File:Civibration5gdb.gif No edit summary current
- 10:2510:25, 14 February 2012 diff hist 0 N File:Civibration4gdb.gif No edit summary current
- 10:2510:25, 14 February 2012 diff hist 0 N File:Civibration3gdb.gif No edit summary current
13 February 2012
- 18:1918:19, 13 February 2012 diff hist −24 Rep:Mod:janiemac →Optimising the Reactants & the Products
- 18:0118:01, 13 February 2012 diff hist +2,008 Rep:Mod:janiemac →The Diels-Alder Reaction: Comparing Transition States
- 17:5817:58, 13 February 2012 diff hist 0 N File:Dielsendovibrationgdb.gif No edit summary current
- 17:5817:58, 13 February 2012 diff hist 0 N File:Dielsexovibrationgdb.gif No edit summary current
- 17:3417:34, 13 February 2012 diff hist 0 N File:DielstsLUMOgdb.jpg No edit summary current
- 17:3417:34, 13 February 2012 diff hist 0 N File:DielstsHOMOgdb.jpg No edit summary current
- 17:2517:25, 13 February 2012 diff hist 0 N File:CisbutLUMOgdb.jpg No edit summary current
- 17:2517:25, 13 February 2012 diff hist 0 N File:CisbutHOMOgdb.jpg No edit summary current
- 16:4616:46, 13 February 2012 diff hist +61 Rep:Mod:janiemac No edit summary
- 14:0914:09, 13 February 2012 diff hist +736 Rep:Mod:janiemac →B3LYP/6-31G(d) Optimisation: Calculating Activation Energies
- 13:5513:55, 13 February 2012 diff hist +232 Rep:Mod:janiemac →B3LYP/6-31G(d) Optimisation: Calculating Activation Energies
- 13:4913:49, 13 February 2012 diff hist +594 Rep:Mod:janiemac →B3LYP/6-31G(d) Optimisation: Calculating Activation Energies
- 13:4513:45, 13 February 2012 diff hist +1,533 Rep:Mod:janiemac →B3LYP/6-31G(d) Optimisation: Calculating Activation Energies
- 13:1213:12, 13 February 2012 diff hist 0 N File:Boathigheroptgdb.mol No edit summary current
- 13:1213:12, 13 February 2012 diff hist 0 N File:Chairhigheroptgdb.mol No edit summary current
- 12:5912:59, 13 February 2012 diff hist +50 Rep:Mod:janiemac →IRC: Intrinsic Reaction Coordinate
- 12:5812:58, 13 February 2012 diff hist +75 Rep:Mod:janiemac →B3LYP/6-31G(d) Optimisation: Calculating Activation Energies
- 12:5712:57, 13 February 2012 diff hist 0 N File:Chairircmoviegdb.gif No edit summary current
- 12:5312:53, 13 February 2012 diff hist +837 Rep:Mod:janiemac →IRC: Intrinsic Reaction Coordinate
- 12:3612:36, 13 February 2012 diff hist 0 File:Chairircforcegdb.jpg uploaded a new version of "File:Chairircforcegdb.jpg" current
- 12:1812:18, 13 February 2012 diff hist +77 Rep:Mod:janiemac →IRC: Intrinsic Reaction Coordinate
- 12:1612:16, 13 February 2012 diff hist 0 N File:Chairircminimisationgdb.mol No edit summary current
- 12:1612:16, 13 February 2012 diff hist 0 N File:Chairircforcegdb.mol No edit summary current
- 12:1612:16, 13 February 2012 diff hist 0 N File:Chairircforcegdb.jpg No edit summary
- 12:1612:16, 13 February 2012 diff hist 0 N File:Chairirc100stepsgdb.jpg No edit summary current
- 12:1612:16, 13 February 2012 diff hist 0 N File:Chairirc100stepsgdb.mol No edit summary current
12 February 2012
- 19:5319:53, 12 February 2012 diff hist +84 Rep:Mod:janiemac →Chair & Boat Transition State Structures
- 19:5219:52, 12 February 2012 diff hist +283 Rep:Mod:janiemac →IRC: Intrinsic Reaction Coordinate
- 19:4619:46, 12 February 2012 diff hist +27 Rep:Mod:janiemac →Optimisation of Boat TS: QST2 Method
- 19:4519:45, 12 February 2012 diff hist +60 Rep:Mod:janiemac →Freezing Coordinates
- 19:4319:43, 12 February 2012 diff hist +2 Rep:Mod:janiemac →Chair & Boat Transition State Structures
- 19:4219:42, 12 February 2012 diff hist +59 Rep:Mod:janiemac →Optimisation of Chair TS
- 19:4119:41, 12 February 2012 diff hist +229 Rep:Mod:janiemac →Optimisation of Boat TS: QST2 Method
- 19:3819:38, 12 February 2012 diff hist +681 Rep:Mod:janiemac →Optimisation of Boat TS: QST2 Method
- 19:3719:37, 12 February 2012 diff hist 0 N File:Copevibrationboatgdb.gif No edit summary current
- 19:3119:31, 12 February 2012 diff hist 0 N File:Dihedralboat2gdb.gif No edit summary current
- 19:3019:30, 12 February 2012 diff hist 0 N File:Dihedralboatgdb.gif No edit summary current
- 19:2519:25, 12 February 2012 diff hist 0 N File:Failedboatgdb.mol No edit summary current
- 19:2519:25, 12 February 2012 diff hist 0 N File:Dihedralboatgdb.mol No edit summary current
- 19:2519:25, 12 February 2012 diff hist 0 N File:Boattsgdb.jpg No edit summary current
- 19:1919:19, 12 February 2012 diff hist +46 Rep:Mod:janiemac →Chair & Boat Transition State Structures
- 19:1719:17, 12 February 2012 diff hist +147 Rep:Mod:janiemac →Chair & Boat Transition State Structures
- 19:0119:01, 12 February 2012 diff hist +151 Rep:Mod:janiemac →Optimisation of Chair TS
- 19:0019:00, 12 February 2012 diff hist 0 N File:Copevibrationgdb.gif No edit summary current
- 18:5118:51, 12 February 2012 diff hist 0 N File:Chairconfgdb.jpg No edit summary current