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User contributions for Shp13

Results for Shp13 talk block log uploads logs

A user with 432 edits. Account created on 15 October 2015.

18:1518:15, 21 October 2015 diff hist +102 Rep:Mod:steph280 →Optimising the "Boat" Transition State Structure at HF/3-21G using TS QST2 Method
17:5117:51, 21 October 2015 diff hist +486 Rep:Mod:steph280 →Optimising the "Boat" Transition State Structure at HF/3-21G using TS QST2 Method
17:3817:38, 21 October 2015 diff hist +139 Rep:Mod:steph280 →Optimising the "Boat" Transition State Structure at HF/3-21G using TS QST2 Method
17:2417:24, 21 October 2015 diff hist +199 Rep:Mod:steph280 →Optimising the "Boat" Transition State Structure at HF/3-21G using TS QST2 Method
17:2117:21, 21 October 2015 diff hist +140 Rep:Mod:steph280 →Optimising the "Chair" Transition State Structure at HF/3-21G using the Frozen Coordinate Method
17:1717:17, 21 October 2015 diff hist +11 Rep:Mod:steph280 →Optimising the "Chair" Transition State Structure at HF/3-21G using the Frozen Coordinate Method
17:1617:16, 21 October 2015 diff hist 0 N File:TS IR guess derivative.png No edit summary current
17:1617:16, 21 October 2015 diff hist 0 N File:TS guess chair derivative imaginaryfreq anim.gif No edit summary current
17:1317:13, 21 October 2015 diff hist +4 Rep:Mod:steph280 →Optimising the "Chair" Transition State Structure at HF/3-21G using the Frozen Coordinate Method
17:1217:12, 21 October 2015 diff hist +83 Rep:Mod:steph280 →Optimising Transition State Structures
17:0517:05, 21 October 2015 diff hist +4 Rep:Mod:steph280 →Optimising the "Chair" Transition State Structure at HF/3-21G using TS Berny Method
17:0417:04, 21 October 2015 diff hist +4 Rep:Mod:steph280 →Optimising Allyl Fragments
17:0217:02, 21 October 2015 diff hist +16 Rep:Mod:steph280 →Anti1 Conformer of 1,5-hexadiene
16:5716:57, 21 October 2015 diff hist +530 Rep:Mod:steph280 →Optimising Transition State Structures
16:5416:54, 21 October 2015 diff hist +690 Rep:Mod:steph280 →Optimising the "Chair" Transition State Structure at HF/3-21G by Freezing Coordinates
16:3416:34, 21 October 2015 diff hist 0 File:TS guess chair imaginaryfreq anim.gif Shp13 uploaded a new version of File:TS guess chair imaginaryfreq anim.gif current
16:3216:32, 21 October 2015 diff hist −119 Rep:Mod:steph280 →Optimising the "Chair" Transition State Structure at HF/3-21G using TS Berny Method
16:2916:29, 21 October 2015 diff hist −119 Rep:Mod:steph280 →Optimising the "Chair" Transition State Structure at HF/3-21G using TS Berny Method
16:2616:26, 21 October 2015 diff hist 0 Rep:Mod:steph280 →Optimising the "Chair" Transition State Structure at HF/3-21G using TS Berny Method
16:2516:25, 21 October 2015 diff hist +98 Rep:Mod:steph280 →Optimising the "Chair" Transition State Structure at HF/3-21G using TS Berny Method
16:2216:22, 21 October 2015 diff hist +365 Rep:Mod:steph280 →Optimising the "Chair" Transition State Structure at HF/3-21G using TS Berny Method
16:2116:21, 21 October 2015 diff hist 0 N File:IR spec chair guess TS.png No edit summary current
16:1816:18, 21 October 2015 diff hist 0 N File:TS guess chair imaginaryfreq anim.gif No edit summary
16:1116:11, 21 October 2015 diff hist +11 Rep:Mod:steph280 →Optimising Transition State Structures
16:0916:09, 21 October 2015 diff hist +84 Rep:Mod:steph280 →Optimising the "Chair" Transition State Structure at HF/3-21G using TS Berny Method
16:0616:06, 21 October 2015 diff hist +285 Rep:Mod:steph280 →Optimising Transition State Structures
16:0316:03, 21 October 2015 diff hist 0 N File:TS guess chair 321G sp.mol No edit summary current
16:0216:02, 21 October 2015 diff hist +494 Rep:Mod:steph280 →Optimising the "Chair" Transition State Structure at HF/3-21G using TS Berny Method
15:5215:52, 21 October 2015 diff hist +131 Rep:Mod:steph280 →Optimising the Transition State Structure at HF/3-21G using TS Berny Method
15:4715:47, 21 October 2015 diff hist +111 Rep:Mod:steph280 →Optimising the Transition State Structure using the
15:4215:42, 21 October 2015 diff hist +137 Rep:Mod:steph280 →Optimising Transition State Structures
15:3515:35, 21 October 2015 diff hist +1 Rep:Mod:steph280 →Optimising Allyl Fragments
15:3515:35, 21 October 2015 diff hist +1 Rep:Mod:steph280 →Optimising Allyl Fragments
15:3415:34, 21 October 2015 diff hist −1 Rep:Mod:steph280 →Optimising Allyl Fragments
15:3315:33, 21 October 2015 diff hist −3 Rep:Mod:steph280 →Optimising Allyl Fragments
15:3315:33, 21 October 2015 diff hist +8 Rep:Mod:steph280 →Optimising Allyl Fragments
15:3115:31, 21 October 2015 diff hist −26 Rep:Mod:steph280 →Optimising Allyl Fragments
10:2910:29, 21 October 2015 diff hist +169 Rep:Mod:steph280 →Optimising Allyl Fragments
10:2810:28, 21 October 2015 diff hist 0 N File:TS allyl 321G SP.mol No edit summary current
10:2710:27, 21 October 2015 diff hist 0 N File:REACT ANTI1631G sp.mol No edit summary current
10:2710:27, 21 October 2015 diff hist 0 N File:REACT ANTI1 sp.mol No edit summary current
10:2710:27, 21 October 2015 diff hist 0 N File:REACT GAUCHE1 sp.mol No edit summary current
10:2510:25, 21 October 2015 diff hist +507 Rep:Mod:steph280 →Anti1 Conformer of 1,5-hexadiene
10:2310:23, 21 October 2015 diff hist +162 Rep:Mod:steph280 →Anti1 Conformer of 1,5-hexadiene
10:1810:18, 21 October 2015 diff hist 0 File:REACT ANTI sp.mol Shp13 uploaded a new version of File:REACT ANTI sp.mol current
10:1410:14, 21 October 2015 diff hist +145 Rep:Mod:steph280 →Optimising Allyl Fragments Tag: Visual edit
10:1010:10, 21 October 2015 diff hist +141 Rep:Mod:steph280 →Optimising Allyl Fragments
10:0610:06, 21 October 2015 diff hist +145 Rep:Mod:steph280 →Optimising Allyl Fragments
10:0410:04, 21 October 2015 diff hist −2 Rep:Mod:steph280 →Optimising Transition State Structures Tag: Visual edit
10:0210:02, 21 October 2015 diff hist +263 Rep:Mod:steph280 →Optimising Transition State Structures

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