User contributions for Adt10
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25 October 2012
- 12:3012:30, 25 October 2012 diff hist +680 Rep:Mod:adt103 →Optimising the boat transition state using QST2 method
- 12:0912:09, 25 October 2012 diff hist 0 N File:Boat ts 1.mol No edit summary
- 12:0912:09, 25 October 2012 diff hist −37 Rep:Mod:adt103 →Optimising the boat transition state using QST2 method
- 12:0812:08, 25 October 2012 diff hist +65 Rep:Mod:adt103 →Optimising the boat transition state using QST2 method
- 12:0512:05, 25 October 2012 diff hist +274 Rep:Mod:adt103 →Optimising the boat transition state using QST2 method
- 11:5711:57, 25 October 2012 diff hist 0 N File:Boat map adt.png No edit summary current
- 11:5711:57, 25 October 2012 diff hist +807 Rep:Mod:adt103 →Modelling the chair transition state using the frozen co-ordinate method
24 October 2012
- 20:0720:07, 24 October 2012 diff hist +541 Rep:Mod:adt103 →Modelling the chair transition state using the frozen co-ordinate method
- 17:3617:36, 24 October 2012 diff hist 0 Rep:Mod:adt103 →Modelling the chair transition state using the frozen co-ordinate method
- 17:3617:36, 24 October 2012 diff hist 0 N File:Chair movie 4.gif No edit summary current
- 17:3517:35, 24 October 2012 diff hist 0 N File:CHAIR TS FREEZE CALC.mol No edit summary current
- 17:3517:35, 24 October 2012 diff hist 0 N File:CHAIR TS FREEZE CALC DFT.mol No edit summary current
- 17:3317:33, 24 October 2012 diff hist +1,222 Rep:Mod:adt103 No edit summary
- 16:3816:38, 24 October 2012 diff hist 0 N File:Chair ts freeze calc.mol No edit summary current
- 16:3816:38, 24 October 2012 diff hist 0 N File:Chair movie 3.gif No edit summary current
- 16:3716:37, 24 October 2012 diff hist +1,463 Rep:Mod:adt103 →Modelling the chair transition state using the Berny method
- 16:0216:02, 24 October 2012 diff hist +140 Rep:Mod:adt103 →Modelling the chair transition state using the Berny method
- 15:5915:59, 24 October 2012 diff hist 0 Rep:Mod:adt103 →Modelling the chair transition state using the Berny method
- 15:5915:59, 24 October 2012 diff hist +2 Rep:Mod:adt103 →Modelling the chair transition state using the Berny method
- 15:5915:59, 24 October 2012 diff hist +7 Rep:Mod:adt103 No edit summary
- 15:5815:58, 24 October 2012 diff hist 0 N File:CHAIR TS CALC DFT.mol No edit summary current
- 15:5615:56, 24 October 2012 diff hist 0 N File:Chair movie 2.gif No edit summary current
- 15:5515:55, 24 October 2012 diff hist +2,502 Rep:Mod:adt103 →Optimising the chair and boat transition states
- 13:0913:09, 24 October 2012 diff hist 0 N File:Chair movie.gif No edit summary current
- 13:0813:08, 24 October 2012 diff hist +54 Rep:Mod:adt103 →Optimising the chair and boat transition states
- 13:0713:07, 24 October 2012 diff hist −44 Rep:Mod:adt103 →Optimising the chair and boat transition states
- 12:5812:58, 24 October 2012 diff hist +5 Rep:Mod:adt103 →Optimising the chair and boat transition states
- 12:5712:57, 24 October 2012 diff hist 0 N File:Chair ts calc.mol No edit summary current
- 12:5712:57, 24 October 2012 diff hist −5 Rep:Mod:adt103 →Optimising the chair and boat transition states
- 12:5612:56, 24 October 2012 diff hist +5 Rep:Mod:adt103 →Optimising the chair and boat transition states
- 12:5612:56, 24 October 2012 diff hist −5 Rep:Mod:adt103 →Optimising the chair and boat transition states
- 12:5512:55, 24 October 2012 diff hist 0 Rep:Mod:adt103 →Optimising the chair and boat transition states
- 12:5212:52, 24 October 2012 diff hist 0 Rep:Mod:adt103 →Optimising the chair and boat transition states
- 12:5012:50, 24 October 2012 diff hist −1 Rep:Mod:adt103 →Optimising the chair and boat transition states
- 12:4812:48, 24 October 2012 diff hist 0 N File:Chair ts calc.log No edit summary current
- 12:4612:46, 24 October 2012 diff hist −2 Rep:Mod:adt103 →Optimising the chair and boat transition states
- 12:4512:45, 24 October 2012 diff hist 0 N File:Chair ts calc.LOG No edit summary current
- 12:4512:45, 24 October 2012 diff hist −5 Rep:Mod:adt103 →Optimising the chair and boat transition states
- 12:4112:41, 24 October 2012 diff hist 0 N File:Chair ts vibration.mol No edit summary current
- 12:4012:40, 24 October 2012 diff hist +490 Rep:Mod:adt103 →Frequency analysis at the DFT/B3LYP level of the Anti- 2 conformer of 1,5-hexadiene
- 11:3811:38, 24 October 2012 diff hist +749 Rep:Mod:adt103 →Frequency analysis at the DFT/B3LYP level of the Anti- 2 conformer of 1,5-hexadiene
23 October 2012
- 22:5922:59, 23 October 2012 diff hist +3 Rep:Mod:adt103 →Frequency analysis at the DFT/B3LYP level of the Anti- 2 conformer of 1,5-hexadiene
- 22:5822:58, 23 October 2012 diff hist +945 Rep:Mod:adt103 →Frequency analysis at the DFT/B3LYP level of the Anti- 2 conformer of 1,5-hexadiene
- 22:2522:25, 23 October 2012 diff hist +720 Rep:Mod:adt103 No edit summary
- 18:4018:40, 23 October 2012 diff hist +610 Rep:Mod:adt103 No edit summary
- 15:1015:10, 23 October 2012 diff hist +479 Rep:Mod:adt103 No edit summary
- 15:0415:04, 23 October 2012 diff hist +132 Rep:Mod:adt103 No edit summary
- 14:5414:54, 23 October 2012 diff hist +33 Rep:Mod:adt103 No edit summary
- 14:5414:54, 23 October 2012 diff hist +713 Rep:Mod:adt103 No edit summary
- 14:3814:38, 23 October 2012 diff hist 0 N File:Anti 1 dft adt.mol No edit summary current