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User contributions for Xt810

Results for Xt810 talk block log uploads logs

A user with 790 edits. Account created on 8 October 2012.

14:2914:29, 31 October 2012 diff hist +42 Rep:Xiaojie102818 →mo
14:2914:29, 31 October 2012 diff hist 0 N File:LUMO TS.PNG No edit summary current
14:2914:29, 31 October 2012 diff hist 0 N File:Homo ts xiaojie.PNG No edit summary current
14:2814:28, 31 October 2012 diff hist +717 Rep:Xiaojie102818 →Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path
14:2714:27, 31 October 2012 diff hist 0 N File:ANIMATION TS.PNG No edit summary current
14:2514:25, 31 October 2012 diff hist 0 N File:TS VF.PNG No edit summary current
14:2314:23, 31 October 2012 diff hist 0 N File:TS opt.LOG No edit summary current
14:2114:21, 31 October 2012 diff hist 0 N File:Ts opt summary.PNG No edit summary current
14:2014:20, 31 October 2012 diff hist 0 N File:Ts alder.PNG No edit summary current
14:1814:18, 31 October 2012 diff hist +8 Rep:Xiaojie102818 →Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path
14:1814:18, 31 October 2012 diff hist 0 N File:Ts opt xiaojie.mol No edit summary current
14:1714:17, 31 October 2012 diff hist +455 Rep:Xiaojie102818 →cis butadiene
14:1514:15, 31 October 2012 diff hist 0 N File:Ts opt.mol No edit summary current
14:0814:08, 31 October 2012 diff hist 0 N File:LUMO cic butadiene.PNG No edit summary current
14:0714:07, 31 October 2012 diff hist 0 N File:HOMO cis butadiene.PNG No edit summary
14:0514:05, 31 October 2012 diff hist +35 Rep:Xiaojie102818 →cis butadiene
14:0414:04, 31 October 2012 diff hist +1 Rep:Xiaojie102818 →cis butadiene
14:0414:04, 31 October 2012 diff hist +811 Rep:Xiaojie102818 →The Diels Alder Cycloaddition
14:0314:03, 31 October 2012 diff hist 0 N File:AM1 OPT CISBUTDIENE.LOG No edit summary current
14:0114:01, 31 October 2012 diff hist 0 N File:AM1 OPT cisbutadiene summary.PNG No edit summary current
14:0114:01, 31 October 2012 diff hist 0 N File:AM1 OPT CISBUTDIENE.mol No edit summary current
13:0913:09, 31 October 2012 diff hist +36 Rep:Xiaojie102818 No edit summary
13:0713:07, 31 October 2012 diff hist 0 Rep:Xiaojie102818 →Boat TS
13:0713:07, 31 October 2012 diff hist 0 Rep:Xiaojie102818 →Boat TS
13:0713:07, 31 October 2012 diff hist +5 Rep:Xiaojie102818 →Boat TS
13:0613:06, 31 October 2012 diff hist +55 Rep:Xiaojie102818 →Boat TS
13:0613:06, 31 October 2012 diff hist 0 N File:Boat 631g vf.PNG No edit summary current
13:0513:05, 31 October 2012 diff hist 0 N File:Boat IR631g.PNG No edit summary current
13:0313:03, 31 October 2012 diff hist −1 Rep:Xiaojie102818 →Chair TS
13:0213:02, 31 October 2012 diff hist +513 Rep:Xiaojie102818 →Chair TS
13:0213:02, 31 October 2012 diff hist 0 N File:Chair ts 631g.PNG No edit summary current
12:2412:24, 31 October 2012 diff hist −1,195 Rep:Xiaojie102818 →问可不可以删掉product-QST2 calculation
12:2412:24, 31 October 2012 diff hist +1,204 Xiaojie1028 →Result Table
12:2012:20, 31 October 2012 diff hist +8 Rep:Xiaojie102818 →Reactant-QST2 calculation
12:0812:08, 31 October 2012 diff hist +100 Rep:Xiaojie102818 →Reoptimisation after Redundant Coord Editor
12:0612:06, 31 October 2012 diff hist 0 N File:Bong length chair frozen 2nd.PNG No edit summary current
11:5611:56, 31 October 2012 diff hist +17 Rep:Xiaojie102818 →Optimisation of ts by using the frozen coordinate method
11:5611:56, 31 October 2012 diff hist 0 N File:CHK.PNG No edit summary current
11:5411:54, 31 October 2012 diff hist +34 Rep:Xiaojie102818 →Optimisation of ts in 3-21G
11:4911:49, 31 October 2012 diff hist +2 Rep:Xiaojie102818 →Optimisation of ts in 3-21G
11:4811:48, 31 October 2012 diff hist 0 N File:Animation 321g chair.PNG No edit summary current
11:4311:43, 31 October 2012 diff hist +302 Rep:Xiaojie102818 →Optimisation of ts in 3-21G
11:4011:40, 31 October 2012 diff hist 0 N File:Vf 321g chair.PNG No edit summary current
11:3411:34, 31 October 2012 diff hist −5 Rep:Xiaojie102818 →B3LYP/6-31G* Optimised (Anti2) 1,5-hexadiene
11:3211:32, 31 October 2012 diff hist +199 Rep:Xiaojie102818 →B3LYP/6-31G* Optimised (Anti2) 1,5-hexadiene
11:1611:16, 31 October 2012 diff hist −12 Rep:Xiaojie102818 →Result Table
11:1311:13, 31 October 2012 diff hist +71 Rep:Xiaojie102818 →Chair TS
11:1311:13, 31 October 2012 diff hist 0 N File:Vinbrational 631g chair.PNG No edit summary current
11:1211:12, 31 October 2012 diff hist 0 N File:CHAIR TS GUESS XIAOJIE 631G FRE.LOG No edit summary current
11:1011:10, 31 October 2012 diff hist 0 N File:IR 631gfre.PNG No edit summary current

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