User contributions for Rr1210
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5 February 2016
- 11:3611:36, 5 February 2016 diff hist 0 N File:NH3 OPTF POP.LOG No edit summary
- 11:3111:31, 5 February 2016 diff hist −10 Rep:Mod:rr12104 No edit summary
- 11:3111:31, 5 February 2016 diff hist +179 Rep:Mod:rr12104 →NH3: optimisation, frequency, NBO
- 11:2811:28, 5 February 2016 diff hist 0 N File:NH3 OPTF POP.mol2 No edit summary current
- 11:2011:20, 5 February 2016 diff hist +681 N Rep:Mod:rr12104 Created page with "== NH3: optimisation, frequency, NBO == <pre> Item Value Threshold Converged? Maximum Force 0.000004 0.000450 YES RMS Force..." Tag: Visual edit: Switched
25 November 2015
- 16:5516:55, 25 November 2015 diff hist −5,178 Mod:Hunt Research Group/calendar →Calendar
- 16:5416:54, 25 November 2015 diff hist +169 Mod:Hunt Research Group/testing →edit this page and play around with things current Tag: Visual edit
- 16:5116:51, 25 November 2015 diff hist +1,499 Mod:Hunt Research Group/testing →edit this page and play around with things Tag: Visual edit: Switched
- 16:1316:13, 25 November 2015 diff hist −43 Mod:Hunt Research Group/calendar →Calendar Tag: Visual edit: Switched
- 16:1116:11, 25 November 2015 diff hist −31 Mod:Hunt Research Group/calendar →Calendar Tag: Visual edit
29 June 2015
31 March 2015
18 December 2014
- 13:3313:33, 18 December 2014 diff hist 0 Mod:Hunt Research Group/calendar →Calendar
- 13:3313:33, 18 December 2014 diff hist 0 Mod:Hunt Research Group/calendar →Calendar
- 13:3013:30, 18 December 2014 diff hist +116 Mod:Hunt Research Group/calendar →Calendar
- 13:2813:28, 18 December 2014 diff hist −4 Mod:Hunt Research Group/calendar →Calendar
16 December 2014
- 12:0112:01, 16 December 2014 diff hist +94 Mod:Hunt Research Group/calendar No edit summary
31 March 2014
2 November 2012
- 16:5916:59, 2 November 2012 diff hist −55 Rep:Mod:rr12102 →STILL UPDATING UNTIL 5PM, DON'T MARK YET PLEASE :)
- 16:5816:58, 2 November 2012 diff hist +265 Rep:Mod:rr12102 →Optimising the transition states
- 16:5116:51, 2 November 2012 diff hist +73 Rep:Mod:rr12102 →Optimising the transition state
- 16:4816:48, 2 November 2012 diff hist +299 Rep:Mod:rr12102 →Optimising the transition state
- 16:4116:41, 2 November 2012 diff hist 0 N File:Rr1210TSPIC.png No edit summary current
- 16:3716:37, 2 November 2012 diff hist +66 Rep:Mod:rr12102 →Optimising the transition state
- 16:3216:32, 2 November 2012 diff hist −1 Rep:Mod:rr12102 →Optimising the transition state
- 16:3216:32, 2 November 2012 diff hist +28 Rep:Mod:rr12102 →Optimising the transition state
- 16:3116:31, 2 November 2012 diff hist +480 Rep:Mod:rr12102 →Optimising the transition state
- 16:2916:29, 2 November 2012 diff hist 0 N File:Rr1210tsopt1lumo.png No edit summary current
- 16:2916:29, 2 November 2012 diff hist 0 N File:Rr1210tsopt1homo.png No edit summary current
- 16:0816:08, 2 November 2012 diff hist +204 Rep:Mod:rr12102 →Optimising cis butadiene
- 16:0716:07, 2 November 2012 diff hist +14 Rep:Mod:rr12102 →The Diels-Alder cycloaddition
- 16:0516:05, 2 November 2012 diff hist +226 Rep:Mod:rr12102 →Optimising cis butadiene
- 15:5915:59, 2 November 2012 diff hist 0 N File:Rr1210Butadienehomo.png No edit summary current
- 15:5915:59, 2 November 2012 diff hist 0 N File:Rr1210Butadienelumo.png No edit summary current
- 15:5915:59, 2 November 2012 diff hist 0 N File:Rr1210ethlumo.png No edit summary current
- 15:5915:59, 2 November 2012 diff hist 0 N File:Rr1210ethhomo.png No edit summary current
- 15:4515:45, 2 November 2012 diff hist −42 Rep:Mod:rr12102 →The prototype reaction
- 15:4415:44, 2 November 2012 diff hist 0 Rep:Mod:rr12102 →DFT optimisations and frequency calculations
- 15:4215:42, 2 November 2012 diff hist +2 Rep:Mod:rr12102 →DFT optimisations and frequency calculations
- 15:4015:40, 2 November 2012 diff hist +305 Rep:Mod:rr12102 →DFT optimisations and frequency calculations
- 15:0215:02, 2 November 2012 diff hist +89 Rep:Mod:rr12102 →DFT optimisations and frequency calculations
- 14:5114:51, 2 November 2012 diff hist +55 Rep:Mod:rr12102 No edit summary
- 14:2014:20, 2 November 2012 diff hist −220 Rep:Mod:rr12102 →Thermochemical analysis of the Anti 2 conformer
- 13:4913:49, 2 November 2012 diff hist +185 Rep:Mod:rr12103 →DFT optimisations and frequency calculations
- 13:4713:47, 2 November 2012 diff hist 0 File:RR1210CHAIROPTFREQDFT.LOG uploaded a new version of "File:RR1210CHAIROPTFREQDFT.LOG" current
- 13:4513:45, 2 November 2012 diff hist +3 Rep:Mod:rr12102 →The prototype reaction
- 13:4413:44, 2 November 2012 diff hist +1 Rep:Mod:rr12102 →The Diels-Alder cycloaddition
- 13:4413:44, 2 November 2012 diff hist +29 Rep:Mod:rr12102 →The Diels-Alder cycloaddition
- 13:4313:43, 2 November 2012 diff hist 0 N File:Rr1210DAScheme.gif No edit summary current
- 13:3813:38, 2 November 2012 diff hist +627 Rep:Mod:rr12102 →The Diels-Alder cycloaddition