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User contributions for Dd510

Results for Dd510 talk block log uploads logs

A user with 674 edits. Account created on 14 January 2013.

20:4220:42, 7 February 2013 diff hist 0 N File:Chair irc 100 steps.mol No edit summary current
20:4020:40, 7 February 2013 diff hist 0 File:Chair irc 100.gif uploaded a new version of "File:Chair irc 100.gif" current
20:4020:40, 7 February 2013 diff hist 0 N File:Chair irc 100 steps graph.jpg No edit summary current
20:3320:33, 7 February 2013 diff hist −6 Rep:Mod:dd1991 physical →Locating the Endo Transition state
20:3220:32, 7 February 2013 diff hist 0 N File:Endo Ts geometries.jpg No edit summary current
20:2320:23, 7 February 2013 diff hist +726 Rep:Mod:dd1991 physical →Locating the Transition Stater Between Maleic Anydride and 1,3-cyclohexadiene
20:2220:22, 7 February 2013 diff hist 0 N File:Malic endo mol.gjf No edit summary current
20:1620:16, 7 February 2013 diff hist +45 Rep:Mod:dd1991 physical →Locating the Endo Transition state
20:0720:07, 7 February 2013 diff hist +544 Rep:Mod:dd1991 physical →Locating the Transition Stater Between Maleic Anydride and 1,3-cyclohexadiene
19:5119:51, 7 February 2013 diff hist +2 Rep:Mod:dd1991 physical →IRC Analysis
19:5019:50, 7 February 2013 diff hist +172 Rep:Mod:dd1991 physical →IRC Analysis
19:4219:42, 7 February 2013 diff hist +414 Rep:Mod:dd1991 physical →IRC
19:3319:33, 7 February 2013 diff hist +67 Rep:Mod:dd1991 physical →IRC
19:3219:32, 7 February 2013 diff hist 0 N File:Chair IRC 2nd opt.mol No edit summary current
19:2319:23, 7 February 2013 diff hist 0 File:CHAIR IRC.gif uploaded a new version of "File:CHAIR IRC.gif"
19:2319:23, 7 February 2013 diff hist 0 File:Chair IRC reaction path.jpg uploaded a new version of "File:Chair IRC reaction path.jpg" current
18:2518:25, 7 February 2013 diff hist +311 Rep:Mod:dd1991 physical →Optimising Transition States With a Higher Basis Set
18:2018:20, 7 February 2013 diff hist +282 Rep:Mod:dd1991 physical →Optimising Transition States With a Higher Basis Set
17:4817:48, 7 February 2013 diff hist +342 Rep:Mod:dd1991 physical →Optimising Transition States With a Higher Basis Set
17:3917:39, 7 February 2013 diff hist +118 Rep:Mod:dd1991 physical →Optimising Transition States With a Higher Basis Set
17:3017:30, 7 February 2013 diff hist +285 Rep:Mod:dd1991 physical →Optimising Transition States With a Higher Basis Set
17:1217:12, 7 February 2013 diff hist +172 Rep:Mod:dd1991 physical →IRC Analysis
17:0817:08, 7 February 2013 diff hist 0 N File:Malic exo IRC.gif No edit summary current
17:0817:08, 7 February 2013 diff hist 0 N File:Malic exo reaction path graph.jpg No edit summary current
17:0817:08, 7 February 2013 diff hist +168 Rep:Mod:dd1991 physical →Locating the Transition Stater Between Maleic Anydride and 1,3-cyclohexadiene
16:5816:58, 7 February 2013 diff hist +526 Rep:Mod:dd1991 physical →Locating the Transition Stater Between Maleic Anydride and 1,3-cyclohexadiene
16:4316:43, 7 February 2013 diff hist +39 Rep:Mod:dd1991 physical →Optimisation of 1,5-hexadiene conformers
16:3416:34, 7 February 2013 diff hist +658 Rep:Mod:dd1991 physical →Optimising Transition States With a Higher Basis Set
16:3416:34, 7 February 2013 diff hist 0 N File:Boat TS Higherbasis.mol No edit summary current
15:5615:56, 7 February 2013 diff hist +398 Rep:Mod:dd1991 physical →Optimising Transition States With a Higher Basis Set
15:4615:46, 7 February 2013 diff hist −1 Rep:Mod:dd1991 physical →Optimising Transition States With a Higher Basis Set
15:4615:46, 7 February 2013 diff hist −1 Rep:Mod:dd1991 physical →Optimising Transition States With a Higher Basis Set
15:4515:45, 7 February 2013 diff hist −233 Rep:Mod:dd1991 physical →Optimising Transition States With a Higher Basis Set
15:4415:44, 7 February 2013 diff hist +103 Rep:Mod:dd1991 physical →Optimising boat and chair further
15:4415:44, 7 February 2013 diff hist 0 N File:Chair opt frozen 631G.mol No edit summary current
15:2015:20, 7 February 2013 diff hist +158 Rep:Mod:dd1991 physical →IRC
15:1915:19, 7 February 2013 diff hist 0 N File:CHAIR IRC.gif No edit summary
15:1915:19, 7 February 2013 diff hist 0 N File:Chair IRC reaction path.jpg No edit summary
15:1415:14, 7 February 2013 diff hist +135 Rep:Mod:dd1991 physical →IRC
15:0915:09, 7 February 2013 diff hist 0 N File:CHAIR IRC.mol No edit summary current
15:0315:03, 7 February 2013 diff hist +536 Rep:Mod:dd1991 physical →IRC
14:1514:15, 7 February 2013 diff hist −172 Rep:Mod:dd1991 physical →QST2 Method
14:1314:13, 7 February 2013 diff hist +147 Rep:Mod:dd1991 physical →QST2 Method
14:1114:11, 7 February 2013 diff hist 0 N File:Qsts boat ts.mol No edit summary current
12:5712:57, 7 February 2013 diff hist +134 Rep:Mod:dd1991 physical →QST2 Method
12:5712:57, 7 February 2013 diff hist +1 Rep:Mod:dd1991 physical →QST2 Method
12:5612:56, 7 February 2013 diff hist +6 Rep:Mod:dd1991 physical →QST2 Method
12:5512:55, 7 February 2013 diff hist −381 Rep:Mod:dd1991 physical →QST2 Method
12:5212:52, 7 February 2013 diff hist 0 N File:Boat qst2 first.mol No edit summary current
12:4512:45, 7 February 2013 diff hist +1,056 Rep:Mod:dd1991 physical →Optimisation of the Boat Transition State=

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