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User contributions for Dd611

Results for Dd611 talk block log uploads logs

A user with 549 edits. Account created on 21 October 2013.

20:2020:20, 3 December 2013 diff hist +6 Rep:Mod:yixingphysical →Re-optimization to boat TS using B3LYP/6-31G* Level of Theory
20:1920:19, 3 December 2013 diff hist +1,249 Rep:Mod:yixingphysical →Re-optimization to boat TS using B3LYP/6-31G* Level of Theory=
20:1920:19, 3 December 2013 diff hist 0 N File:BOAT REOPT MOVIE.gif No edit summary
19:4919:49, 3 December 2013 diff hist 0 N File:Reopt qts2 boat.mol No edit summary current
19:4919:49, 3 December 2013 diff hist 0 N File:REOPT QTS2 BOAT.LOG No edit summary current
19:4719:47, 3 December 2013 diff hist +70 Rep:Mod:yixingphysical →Second Approach: Optimization with Modified Reactant and Product
19:4419:44, 3 December 2013 diff hist +34 Rep:Mod:yixingphysical →Second Approach: Optimization with Modified Reactant and Product
19:4419:44, 3 December 2013 diff hist 0 N File:11111111111Capture.PNG No edit summary current
19:1619:16, 3 December 2013 diff hist +1 Rep:Mod:yixingphysical →Re-optimization to a TS (Berny) using B3LYP/6-31G* Level of Theory
19:1419:14, 3 December 2013 diff hist +1,149 Rep:Mod:yixingphysical →Re-optimization to a TS (Berny) using B3LYP/6-31G* Level of Theory
19:1419:14, 3 December 2013 diff hist 0 N File:ReoptCHAIR OPT+FREQ 1ST TRY.LOG No edit summary current
19:1019:10, 3 December 2013 diff hist 0 N File:Reopt 1st approach movie.gif No edit summary current
19:0319:03, 3 December 2013 diff hist +35 Rep:Mod:yixingphysical →Introduction
19:0219:02, 3 December 2013 diff hist 0 N File:Cope arrrrrangment.PNG No edit summary current
18:5018:50, 3 December 2013 diff hist +1 Rep:Mod:yixingphysical →Results and Discussion
18:5018:50, 3 December 2013 diff hist +324 Rep:Mod:yixingphysical →Results and Discussion
18:4018:40, 3 December 2013 diff hist +2,069 Rep:Mod:yixingphysical →Optimizations of Gauche (3) Conformer of 1,5-hexadiene
18:4018:40, 3 December 2013 diff hist 0 N File:ANNYGAUCHE3331ST 631 FREQ.LOG No edit summary current
18:3518:35, 3 December 2013 diff hist 0 N File:ANNYGAUCH3E1ST 631.LOG No edit summary current
18:3518:35, 3 December 2013 diff hist 0 N File:ANNYGAUCHE31ST 631.mol No edit summary current
18:2818:28, 3 December 2013 diff hist +1,314 Rep:Mod:yixingphysical →Optimizations of Gauche Conformer of 1,5-hexadiene
18:2718:27, 3 December 2013 diff hist 0 N File:ANNYGAUCH333E1ST HF321G.LOG No edit summary current
18:2418:24, 3 December 2013 diff hist 0 N File:ANNYGAUCHE31ST HF321G.mol No edit summary current
18:1518:15, 3 December 2013 diff hist 0 Rep:Mod:yixingphysical →Optimizations of Gauche Conformer of 1,5-hexadiene
18:1418:14, 3 December 2013 diff hist +262 Rep:Mod:yixingphysical →Results and Discussion
18:0318:03, 3 December 2013 diff hist +32 Rep:Mod:yixingphysical →Optimizations of Reactants and Products
18:0218:02, 3 December 2013 diff hist +1,498 Rep:Mod:yixingphysical →Second Approach: Optimization to a TS(Berny) with Frozen Coordinates
17:5317:53, 3 December 2013 diff hist 0 N File:3RDAPPROACH1STTRY.LOG No edit summary current
17:5317:53, 3 December 2013 diff hist 0 N File:Moivvvvveee.gif No edit summary current
17:5117:51, 3 December 2013 diff hist 0 N File:3RDPPROACHSTTRY.mol No edit summary current
17:4817:48, 3 December 2013 diff hist +76 Rep:Mod:yixingphysical →First Approach: Optimization to a TS (Berny)
17:2317:23, 3 December 2013 diff hist +1,255 Rep:Mod:yixingphysical →Second Approach: Optimization with Modified Reactant and Product
17:2217:22, 3 December 2013 diff hist 0 N File:Capture method 3.PNG No edit summary current
17:0417:04, 3 December 2013 diff hist 0 N File:METHOD 1.LOG No edit summary current
17:0117:01, 3 December 2013 diff hist 0 N File:Boat2ND METHOD.LOG No edit summary current
17:0017:00, 3 December 2013 diff hist 0 N File:Capture method 2.PNG No edit summary current
16:4416:44, 3 December 2013 diff hist +491 Rep:Mod:yixingphysical →Second Approach: Optimization with Modified Reactant and Product
16:4316:43, 3 December 2013 diff hist 0 N File:IRC movie boat.gif No edit summary current
16:3716:37, 3 December 2013 diff hist 0 N File:IRCBOAT TS QST2 2ND TRY.LOG No edit summary current
16:3616:36, 3 December 2013 diff hist 0 N File:11111111Capture.PNG No edit summary current
16:2616:26, 3 December 2013 diff hist −8 Rep:Mod:yixingphysical →Second Approach: Optimization with Modified Reactant and Product
16:2516:25, 3 December 2013 diff hist +8 Rep:Mod:yixingphysical →Second Approach: Optimization with Modified Reactant and Product
16:1216:12, 3 December 2013 diff hist +1 Rep:Mod:yixingphysical →First Approach: Optimization to a TS (Berny)
16:1216:12, 3 December 2013 diff hist +83 Rep:Mod:yixingphysical →First Approach: Optimization to a TS (Berny)
16:1116:11, 3 December 2013 diff hist 0 N File:2ND METHOD.LOG No edit summary current
16:1016:10, 3 December 2013 diff hist +930 Rep:Mod:yixingphysical →First Approach: Optimization to a TS (Berny)
15:5615:56, 3 December 2013 diff hist +374 Rep:Mod:yixingphysical →First Approach: Optimization to a TS (Berny)
15:5515:55, 3 December 2013 diff hist 0 N File:1ST METHOD.LOG No edit summary current
15:4815:48, 3 December 2013 diff hist +726 Rep:Mod:yixingphysical →First Approach: Optimization to a TS (Berny)
15:4615:46, 3 December 2013 diff hist 0 N File:Method 2 capture.PNG No edit summary current

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