User contributions for Da907
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24 March 2010
- 14:1014:10, 24 March 2010 diff hist +819 Rep:Mod:DAAO phys →Intrinsic Reaction Coordinate (IRC) Method for the 'Chair' Transition Structure
- 14:0514:05, 24 March 2010 diff hist 0 N File:DAAO IRC app1 converged.png No edit summary current
- 14:0414:04, 24 March 2010 diff hist 0 N File:IRC approach1 jmol.mol No edit summary current
- 14:0314:03, 24 March 2010 diff hist 0 N File:IRC approach1.jpg No edit summary current
- 13:5913:59, 24 March 2010 diff hist 0 N File:DAAO IRC app1 calc summary.png No edit summary current
- 13:3713:37, 24 March 2010 diff hist +1,406 Rep:Mod:DAAO phys →Intrinsic Reaction Coordinate (IRC) Method for the 'Chair' Transition Structure
- 13:3413:34, 24 March 2010 diff hist 0 N File:IRC 50.mol No edit summary current
- 13:3113:31, 24 March 2010 diff hist 0 N File:DAAO IRC 50 calc summary.png No edit summary current
- 13:2813:28, 24 March 2010 diff hist 0 N File:DAAO IRC 50 graphs.png No edit summary current
- 13:2613:26, 24 March 2010 diff hist 0 N File:IRC 50.jpg No edit summary current
- 11:5711:57, 24 March 2010 diff hist +37 Rep:Mod:DAAO phys →Intrinsic Reaction Coordinate (IRC) Method
- 11:5611:56, 24 March 2010 diff hist +25 Rep:Mod:DAAO phys →Optimising the 'Boat' Transition Structure
- 11:5511:55, 24 March 2010 diff hist +49 Rep:Mod:DAAO phys →Optimising the 'Boat' Transition Structure
- 11:2311:23, 24 March 2010 diff hist +505 Rep:Mod:DAAO phys →Optimising the 'Boat' Transition Structure
- 11:2111:21, 24 March 2010 diff hist 0 N File:DAAO boat ts 840 vib.png No edit summary current
- 11:2011:20, 24 March 2010 diff hist 0 N File:DAAO boat ts output.png No edit summary current
- 11:1811:18, 24 March 2010 diff hist 0 N File:DAAO boat ts IR.png No edit summary current
- 10:5710:57, 24 March 2010 diff hist +1,678 Rep:Mod:DAAO phys →Optimising the 'Boat' Transition Structure
- 10:5010:50, 24 March 2010 diff hist 0 N File:QST2 rearranged ts.mol No edit summary current
- 10:4810:48, 24 March 2010 diff hist 0 N File:DAAO rearranged calc summary.png No edit summary current
- 10:4510:45, 24 March 2010 diff hist 0 N File:Rearranged ts.jpg No edit summary current
- 10:4310:43, 24 March 2010 diff hist 0 N File:Qst2 rearranged prod.jpg No edit summary current
- 10:4310:43, 24 March 2010 diff hist 0 N File:Qst2 rearranged react.jpg No edit summary current
- 10:3810:38, 24 March 2010 diff hist 0 N File:Rearranged labelled product.jpg No edit summary current
- 10:3710:37, 24 March 2010 diff hist 0 N File:Rearranged labelled reactant.jpg No edit summary current
- 10:3510:35, 24 March 2010 diff hist 0 N File:DAAO Rearranged labelled reactant.jpg No edit summary current
- 10:3210:32, 24 March 2010 diff hist 0 N File:Boat opt product fail.jpg No edit summary current
- 10:3110:31, 24 March 2010 diff hist 0 N File:Boat opt react fail.jpg No edit summary current
23 March 2010
- 21:5621:56, 23 March 2010 diff hist +135 Rep:Mod:DAAO phys No edit summary
- 21:5121:51, 23 March 2010 diff hist −15 Rep:Mod:DAAO phys →Optimising the 'Chair' and 'Boat' Transition Structures
- 21:4821:48, 23 March 2010 diff hist 0 N File:DAAO chair ts c.png No edit summary current
- 21:4421:44, 23 March 2010 diff hist +909 Rep:Mod:DAAO phys →Optimising the 'Chair' and 'Boat' Transition Structures
- 21:4021:40, 23 March 2010 diff hist 0 N File:DAAO chair ts d calc summary.png No edit summary current
- 21:3821:38, 23 March 2010 diff hist 0 N File:DAAO Chair ts d 2 02.mol No edit summary current
- 21:3721:37, 23 March 2010 diff hist 0 N File:Chair ts d 2 02.jpg No edit summary current
- 21:3021:30, 23 March 2010 diff hist +802 Rep:Mod:DAAO phys →Optimising the 'Chair' and 'Boat' Transition Structures
- 21:2521:25, 23 March 2010 diff hist 0 N File:DAAO chair ts c calc summary.png No edit summary current
- 21:1821:18, 23 March 2010 diff hist 0 N File:Chair ts c 2 20.mol No edit summary current
- 21:1721:17, 23 March 2010 diff hist 0 N File:Chair ts c 2 20.jpg No edit summary current
- 20:4220:42, 23 March 2010 diff hist +810 Rep:Mod:DAAO phys →Optimising the 'Chair' and 'Boat' Transition Structures
- 20:3920:39, 23 March 2010 diff hist 0 N File:DAAO berny chair IR.png No edit summary current
- 20:3420:34, 23 March 2010 diff hist 0 N File:DAAO chair berny freq calc summary.png No edit summary current
- 20:2920:29, 23 March 2010 diff hist 0 N File:Chair opt berny -818.jpg No edit summary current
- 20:2720:27, 23 March 2010 diff hist 0 N File:DAAO chair berny IR.png No edit summary current
- 16:0116:01, 23 March 2010 diff hist +859 Rep:Mod:DAAO phys →Optimising the 'Chair' and 'Boat' Transition Structures
- 15:5815:58, 23 March 2010 diff hist 0 N File:DAAO allyl starting.mol No edit summary current
- 15:5615:56, 23 March 2010 diff hist 0 N File:DAAO allyl converged output.png No edit summary current
- 15:5215:52, 23 March 2010 diff hist 0 N File:DAAO Chair opt berny.mol No edit summary current
- 15:5115:51, 23 March 2010 diff hist 0 N File:DAAO Chair opt berny.jpg No edit summary current
- 15:5015:50, 23 March 2010 diff hist 0 N File:Chair guess starting.png No edit summary current