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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.

15:3215:32, 3 December 2013 diff hist 0 N File:C111111apture.PNG No edit summary current
14:3014:30, 3 December 2013 diff hist +311 Rep:Mod:yixingphysical →Second Approach: Optimization with Modified Reactant and Product
14:2614:26, 3 December 2013 diff hist 0 N File:2nd try qts2.PNG No edit summary current
14:2314:23, 3 December 2013 diff hist +111 Rep:Mod:yixingphysical →Second Approach: Optimization with Modified Reactant and Product
14:2214:22, 3 December 2013 diff hist 0 N File:BOAT TS QST2 2ND TRY.LOG No edit summary current
14:2114:21, 3 December 2013 diff hist +1,386 Rep:Mod:yixingphysical →Second Approach: Optimization with Modified Reactant and Product
14:1814:18, 3 December 2013 diff hist 0 N File:Boat qst2 2nd try gif vibration.gif No edit summary current
14:1214:12, 3 December 2013 diff hist 0 N File:Boat ts qst2 2nd try.mol No edit summary current
14:1214:12, 3 December 2013 diff hist 0 N File:Second appraoch.PNG No edit summary current
13:4713:47, 3 December 2013 diff hist +74 Rep:Mod:yixingphysical →Optimization of the 'boat' Transition State
13:4713:47, 3 December 2013 diff hist +1,029 Rep:Mod:yixingphysical →First Approach: Optimization from Anti 2 Conformer
13:2713:27, 3 December 2013 diff hist 0 N File:Two failed numbering 2.PNG No edit summary current
13:2313:23, 3 December 2013 diff hist 0 N File:Boat QST2 1st try.mol No edit summary current
13:2313:23, 3 December 2013 diff hist 0 N File:Two failed numbering.PNG No edit summary current
10:3510:35, 3 December 2013 diff hist +110 Rep:Mod:yixingphysical →Optimization of the 'chair' Transition State

20:3920:39, 2 December 2013 diff hist +70 Rep:Mod:yixingphysical →Optimization of the 'chair' Transition State
20:3720:37, 2 December 2013 diff hist −8 Rep:Mod:yixingphysical →Third Approach: Optimization to a TS (Berny)with Derivative and IRC
20:3520:35, 2 December 2013 diff hist +1,248 Rep:Mod:yixingphysical →Optimization of the 'chair' Transition State
20:2020:20, 2 December 2013 diff hist +1 Rep:Mod:yixingphysical →Third Approach: Optimization to a TS (Berny)with Derivative and IRC
20:1720:17, 2 December 2013 diff hist +661 Rep:Mod:yixingphysical →Optimization of the 'chair' Transition State
20:1720:17, 2 December 2013 diff hist 0 N File:3RDPPROACH1STTRY.LOG No edit summary current
20:1520:15, 2 December 2013 diff hist 0 N File:818 vibration 3rd try.gif No edit summary current
19:2119:21, 2 December 2013 diff hist 0 Rep:Mod:yixingphysical →First Approach: Optimization to a TS (Berny)
19:2119:21, 2 December 2013 diff hist +6 Rep:Mod:yixingphysical →First Approach: Optimization to a TS (Berny)
19:2019:20, 2 December 2013 diff hist +190 Rep:Mod:yixingphysical →Optimization of the 'chair' Transition State
19:1919:19, 2 December 2013 diff hist 0 N File:818 frequency movie.gif No edit summary current
19:1819:18, 2 December 2013 diff hist 0 N File:Chair opt+freq 1st try.gjf No edit summary current
19:1419:14, 2 December 2013 diff hist 0 N File:Chair allyl first.mol No edit summary current
19:1319:13, 2 December 2013 diff hist 0 N File:CHAIR ALLYL FIRST.LOG No edit summary current
19:1319:13, 2 December 2013 diff hist 0 N File:CHAIR OPT+FREQ 1ST TRY.LOG No edit summary current
19:1319:13, 2 December 2013 diff hist 0 File:Chair opt+freq 1st try.mol uploaded a new version of "File:Chair opt+freq 1st try.mol" current
19:1019:10, 2 December 2013 diff hist −190 Rep:Mod:yixingphysical →Cope Rearrangement
19:0019:00, 2 December 2013 diff hist +1 Rep:Mod:yixingphysical →First Approach: Optimization to a TS (Berny)
18:5818:58, 2 December 2013 diff hist +744 Rep:Mod:yixingphysical →Optimization of the 'chair' Transition State
18:5218:52, 2 December 2013 diff hist 0 N File:Chair opt+freq 1st try.mol No edit summary
18:4718:47, 2 December 2013 diff hist +1 Rep:Mod:yixingphysical →Optimization of an Allyl Fragment
18:4618:46, 2 December 2013 diff hist +92 Rep:Mod:yixingphysical →Optimizations of Reactants and Products
16:3516:35, 2 December 2013 diff hist +204 Rep:Mod:yixingphysical →Re-optimizations of Gauche Conformer of 1,5-hexadiene
16:3416:34, 2 December 2013 diff hist +107 Rep:Mod:yixingphysical →Optimizations of Gauche Conformer of 1,5-hexadiene
16:3216:32, 2 December 2013 diff hist −2 Rep:Mod:yixingphysical →Re-optimizations of Anti-Peri Planar Conformer of 1,5-hexadiene
16:3216:32, 2 December 2013 diff hist +181 Rep:Mod:yixingphysical →Re-optimizations of Anti-Peri Planar Conformer of 1,5-hexadiene
16:3016:30, 2 December 2013 diff hist +117 Rep:Mod:yixingphysical →Optimizations of Anti-Peri Planar Conformer of 1,5-hexadiene
16:2616:26, 2 December 2013 diff hist 0 N File:631 optimmmm.LOG No edit summary current
16:2616:26, 2 December 2013 diff hist 0 N File:FINAL FREQ.LOG No edit summary current
16:2616:26, 2 December 2013 diff hist 0 N File:ANNYGAUCHE1ST 6-31G.LOG No edit summary current
16:2616:26, 2 December 2013 diff hist 0 N File:ANNYGAUCHE1ST 6-31G FREQUENCY.LOG No edit summary current
16:2616:26, 2 December 2013 diff hist 0 N File:ANNYGAUCHE1ST HF321G.LOG No edit summary current
16:2416:24, 2 December 2013 diff hist +20 Rep:Mod:yixingphysical →Re-optimizations of Gauche Conformer of 1,5-hexadiene
16:2416:24, 2 December 2013 diff hist +1,893 Rep:Mod:yixingphysical →Optimizations of Gauche Conformer of 1,5-hexadiene
16:1916:19, 2 December 2013 diff hist +1,241 Rep:Mod:yixingphysical →Re-optimizations of Anti-Peri Planar Conformer of 1,5-hexadiene

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