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User contributions for Hl3010

Results for Hl3010 talk block log uploads logs

A user with 467 edits. Account created on 11 October 2010.

16:5416:54, 7 December 2012 diff hist +928 Rep:Mod:littleliana3 →Persise calculations of anti 2 conformer of 1,5 hexadiene
16:3816:38, 7 December 2012 diff hist +1,012 Rep:Mod:littleliana3 →Calculations of the Activation energy of the two transition states
16:2016:20, 7 December 2012 diff hist +1,086 Rep:Mod:littleliana3 →Calculations of the Activation energy of the two transition states
16:0116:01, 7 December 2012 diff hist +736 Rep:Mod:littleliana3 →Calculations of the Activation energy of the two transition states
15:4815:48, 7 December 2012 diff hist 0 Rep:Mod:littleliana3 →Calculations of the Activation energy of the two transition states
15:4715:47, 7 December 2012 diff hist +303 Rep:Mod:littleliana3 →Calculations of the Activation energy of the two transition states
15:4615:46, 7 December 2012 diff hist 0 N File:Boat conformer thermochemical.png No edit summary current
15:4615:46, 7 December 2012 diff hist 0 N File:Chair conformer thermochemical.png No edit summary current
15:4115:41, 7 December 2012 diff hist +229 Rep:Mod:littleliana3 →Boat Transition State DFT B3LYP/6-31G (d)
15:3515:35, 7 December 2012 diff hist +118 Rep:Mod:littleliana3 →Boat Transition State DFT B3LYP/6-31G (d)
15:3315:33, 7 December 2012 diff hist +153 Rep:Mod:littleliana3 →Boat Transition State DFT B3LYP/6-31G (d)
15:3215:32, 7 December 2012 diff hist +758 Rep:Mod:littleliana3 →Chair Transition State Structure DFT B3LYP/6-31G (d)
15:2015:20, 7 December 2012 diff hist +488 Rep:Mod:littleliana3 →IRC Method
06:5906:59, 7 December 2012 diff hist −512 Rep:Mod:littleliana3 →Chair Transition State Structure DFT B3LYP/6-31G (d)
06:5806:58, 7 December 2012 diff hist +572 Rep:Mod:littleliana3 →Chair Transition State Structure DFT B3LYP/6-31G (d)
06:4906:49, 7 December 2012 diff hist +1,287 Rep:Mod:littleliana3 →Energies of the two structures
06:3106:31, 7 December 2012 diff hist +494 Rep:Mod:littleliana3 →Endo Transition State
06:2206:22, 7 December 2012 diff hist +611 Rep:Mod:littleliana3 →Exo Transition State
06:0706:07, 7 December 2012 diff hist +619 Rep:Mod:littleliana3 →Energies of the two structures
05:4905:49, 7 December 2012 diff hist +283 Rep:Mod:littleliana3 →Endo Transition State
05:4605:46, 7 December 2012 diff hist +60 Rep:Mod:littleliana3 →Exo Transition State
04:5704:57, 7 December 2012 diff hist +956 Rep:Mod:littleliana3 →Binary TS Optimization using AM1 basis set
04:3704:37, 7 December 2012 diff hist +419 Rep:Mod:littleliana3 →Binary TS Optimization using AM1 basis set
04:0904:09, 7 December 2012 diff hist +540 Rep:Mod:littleliana3 →Binary TS Optimization using AM1 basis set
03:5803:58, 7 December 2012 diff hist +1,460 Rep:Mod:littleliana3 →Binary TS Optimization using AM1 basis set
03:3503:35, 7 December 2012 diff hist +10 Rep:Mod:littleliana3 →Computation of Transition states of the Diels Alder Reaction
03:3503:35, 7 December 2012 diff hist 0 Rep:Mod:littleliana3 →Computation of Transition states of the Diels Alder Reaction
03:3403:34, 7 December 2012 diff hist +116 Rep:Mod:littleliana3 →Computation of Transition states of the Diels Alder Reaction
03:3203:32, 7 December 2012 diff hist +118 Rep:Mod:littleliana3 →Computation of Transition states of the Diels Alder Reaction
03:3003:30, 7 December 2012 diff hist 0 N File:TS guess structure.PNG No edit summary current
01:0501:05, 7 December 2012 diff hist +2,023 Rep:Mod:littleliana3 →Week 2: The Diels Alder Cycloaddition

23:5923:59, 6 December 2012 diff hist +272 Rep:Mod:littleliana3 →Endo Transition State
23:5823:58, 6 December 2012 diff hist 0 N File:Endo LUMO TS Huijun.PNG No edit summary current
23:5823:58, 6 December 2012 diff hist 0 N File:Endo HOMO TS Huijun.PNG No edit summary current
23:5823:58, 6 December 2012 diff hist 0 N File:Endo energy level TS Huijun.PNG No edit summary current
23:5723:57, 6 December 2012 diff hist +264 Rep:Mod:littleliana3 →Exo Transition State
23:5623:56, 6 December 2012 diff hist 0 N File:LUMO exo MO Huijun.PNG No edit summary current
23:5623:56, 6 December 2012 diff hist 0 N File:HOMO exo MO Huijun.PNG No edit summary current
23:5623:56, 6 December 2012 diff hist 0 N File:Energy level Exo Huijun.PNG No edit summary current
23:3223:32, 6 December 2012 diff hist 0 Rep:Mod:littleliana3 →Endo Transition State
20:3620:36, 6 December 2012 diff hist −12 Rep:Mod:littleliana3 →Chair Transition State Structure DFT B3LYP/6-31G (d)
20:3520:35, 6 December 2012 diff hist −10 Rep:Mod:littleliana3 →Boat Transition State DFT B3LYP/6-31G (d)
20:3420:34, 6 December 2012 diff hist +785 Rep:Mod:littleliana3 →Boat Transition State DFT B3LYP/6-31G (d)
20:2820:28, 6 December 2012 diff hist +7 Rep:Mod:littleliana3 →Boat Transition State DFT B3LYP/6-31G (d)
20:2820:28, 6 December 2012 diff hist +89 Rep:Mod:littleliana3 →Boat Transition State DFT B3LYP/6-31G (d)
20:2820:28, 6 December 2012 diff hist 0 N File:6-31G opt vibration HuiJun.gif No edit summary current
20:1020:10, 6 December 2012 diff hist +93 Rep:Mod:littleliana3 →QST2 method
20:1020:10, 6 December 2012 diff hist 0 N File:BOAT TS QST2 2ND OPT 3-21G.LOG No edit summary current
20:0920:09, 6 December 2012 diff hist −6 Rep:Mod:littleliana3 →Chair Transition State Structure using DFT B3LYP/6-31G (d)
20:0920:09, 6 December 2012 diff hist −69 Rep:Mod:littleliana3 →Boat Transition State Structure using DFT B3LYP/6-31G

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