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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.

20:0820:08, 6 December 2012 diff hist +68 Rep:Mod:littleliana3 →Boat Transition State DFT B3LYP/6-31G (d)
20:0820:08, 6 December 2012 diff hist +32 Rep:Mod:littleliana3 →Boat Transition State HF/3-21G
20:0520:05, 6 December 2012 diff hist +398 Rep:Mod:littleliana3 →Endo Transition State
20:0520:05, 6 December 2012 diff hist 0 N File:ENDO GUESS TS AM1 3-21G OPT FROZEN 2ND.LOG No edit summary current
20:0420:04, 6 December 2012 diff hist 0 N File:Endo vibration Huijun Liu.gif No edit summary current
19:4519:45, 6 December 2012 diff hist +875 Rep:Mod:littleliana3 →Exo Transition State
19:4219:42, 6 December 2012 diff hist 0 N File:Vibration Exo TS HuiJun.gif No edit summary current
19:3819:38, 6 December 2012 diff hist 0 N File:EXO GUESS TS AM1 3-21G OPT FROZEN 2ND.LOG No edit summary current
19:3719:37, 6 December 2012 diff hist +443 Rep:Mod:littleliana3 →Exo Transition State
19:1819:18, 6 December 2012 diff hist +740 Rep:Mod:littleliana3 →Computation of Transition states of the Diels Alder Reaction
17:2917:29, 6 December 2012 diff hist +331 Rep:Mod:littleliana3 →Initial Binary TS Optimization using AM1 basis set
17:2717:27, 6 December 2012 diff hist 0 N File:TS 1sr opt LUMO.PNG No edit summary current
17:2717:27, 6 December 2012 diff hist 0 N File:TS 1sr opt HOMO.PNG No edit summary current
17:2717:27, 6 December 2012 diff hist 0 N File:TS 1sr opt energy levels.PNG No edit summary current
17:1917:19, 6 December 2012 diff hist −58 Rep:Mod:littleliana3 →Further Optimization using IRC AM1 basis set
17:1617:16, 6 December 2012 diff hist +1,066 Rep:Mod:littleliana3 →Computation of Transition states of the Diels Alder Reaction
17:1517:15, 6 December 2012 diff hist 0 N File:1st opt TS vibration animation.gif No edit summary current
17:0817:08, 6 December 2012 diff hist 0 N File:TS GUESS AM1 1ST OPT FREQ.LOG No edit summary current
17:0717:07, 6 December 2012 diff hist +199 Rep:Mod:littleliana3 →Computation of Transition states of the Diels Alder Reaction
16:2416:24, 6 December 2012 diff hist +75 Rep:Mod:littleliana3 →Chair Transition State Structure using DFT B3LYP/6-31G (d)
16:2416:24, 6 December 2012 diff hist 0 N File:6-31G opt TS.gif No edit summary current
16:2016:20, 6 December 2012 diff hist +33 Rep:Mod:littleliana3 →Chair Transition State Structure using DFT B3LYP/6-31G (d)
16:1616:16, 6 December 2012 diff hist +100 Rep:Mod:littleliana3 →Chair Transition State Structure using DFT B3LYP/6-31G (d)
16:1416:14, 6 December 2012 diff hist 0 N File:TS CHAIR OPT FREQ 6-31G 3.LOG No edit summary current
15:4115:41, 6 December 2012 diff hist +709 Rep:Mod:littleliana3 →IRC Method
15:4015:40, 6 December 2012 diff hist 0 N File:IRC 50 points improved summary.PNG No edit summary current
15:4015:40, 6 December 2012 diff hist 0 N File:IRC 50 points improved.PNG No edit summary current
15:4015:40, 6 December 2012 diff hist 0 N File:CHAIR TS IRC CALC IMPROVEMENT 1ST METHOD.LOG No edit summary current
15:3515:35, 6 December 2012 diff hist +147 Rep:Mod:littleliana3 →IRC Method
15:2815:28, 6 December 2012 diff hist +1,142 Rep:Mod:littleliana3 →IRC Method
15:2515:25, 6 December 2012 diff hist 0 N File:IRC 50 points last iteratation summary.PNG No edit summary current
15:2515:25, 6 December 2012 diff hist 0 N File:IRC 50 points last iteratation.PNG No edit summary current
15:1915:19, 6 December 2012 diff hist 0 N File:IRC 50 points movie.gif No edit summary current
15:1915:19, 6 December 2012 diff hist 0 N File:IRC 50 points first iteratation summary.PNG No edit summary current
15:1915:19, 6 December 2012 diff hist 0 N File:IRC 50 points first iteratation.PNG No edit summary current
15:1415:14, 6 December 2012 diff hist 0 N File:CHAIR TS IRC CALC 50 POINTS.LOG No edit summary current

19:1519:15, 5 December 2012 diff hist +73 Rep:Mod:littleliana3 →MO study of Cis-Butadiene
19:1419:14, 5 December 2012 diff hist +62 Rep:Mod:littleliana3 →MO study of Cis-Butadiene
19:1419:14, 5 December 2012 diff hist 0 N File:Full MO of butadiene.PNG No edit summary current
19:0019:00, 5 December 2012 diff hist +37 Rep:Mod:littleliana3 →MO study of Cis-Butadiene
18:4418:44, 5 December 2012 diff hist −11 Rep:Mod:littleliana3 →MO study of Cis-Butadiene
18:4418:44, 5 December 2012 diff hist +345 Rep:Mod:littleliana3 →MO study of Cis-Butadiene
18:4218:42, 5 December 2012 diff hist 0 N File:Butadiene am1 opt.chk No edit summary current
18:4118:41, 5 December 2012 diff hist +131 Rep:Mod:littleliana3 →Week 2: The Diels Alder Cycloaddition
18:1618:16, 5 December 2012 diff hist +50 Rep:Mod:littleliana3 →Week 1: The Cope Rearrangement
18:1518:15, 5 December 2012 diff hist 0 Rep:Mod:littleliana3 →Huijun Liu's Computational lab module 3
18:1418:14, 5 December 2012 diff hist +24 Rep:Mod:littleliana3 →Week 1
17:4517:45, 5 December 2012 diff hist +105 Rep:Mod:littleliana3 →frozen coordinate approach
17:4417:44, 5 December 2012 diff hist 0 N File:CHAIR TS FROZEN COORDINATE TS OPT 2.LOG No edit summary current
17:4317:43, 5 December 2012 diff hist +90 Rep:Mod:littleliana3 →force constant matrix approach

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