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User contributions for Afa108

Results for Afa108 talk block log uploads logs

A user with 1,190 edits. Account created on 15 December 2008.

12:5812:58, 25 March 2011 diff hist 0 N File:BoatIRC.PNG No edit summary
12:5412:54, 25 March 2011 diff hist +448 Rep:Mod:opus1012 →5.4. Intrinsic Reaction Coordinate (IRC)
12:5012:50, 25 March 2011 diff hist +275 Rep:Mod:opus1012 →5.4. Intrinsic Reaction Coordinate (IRC)
12:4612:46, 25 March 2011 diff hist 0 N File:CHAIR TSOPT(METHOD1)IRC(FORWARD) 300 STEPSIZE5.mol No edit summary current
12:4512:45, 25 March 2011 diff hist +453 Rep:Mod:opus1012 →5.4. Intrinsic Reaction Coordinate (IRC)
12:4412:44, 25 March 2011 diff hist 0 N File:Ircfailed 3.PNG No edit summary current
12:4412:44, 25 March 2011 diff hist +462 Rep:Mod:opus1012 →5.4. Intrinsic Reaction Coordinate (IRC)
12:2812:28, 25 March 2011 diff hist 0 N File:Summaryfile.PNG No edit summary current
12:2712:27, 25 March 2011 diff hist +348 Rep:Mod:opus1012 →5.4. Intrinsic Reaction Coordinate (IRC)
12:2312:23, 25 March 2011 diff hist 0 N File:CHAIR TSOPT(METHOD1)IRC(FORWARD) 50 FCEVERY(51 51)OPT.mol No edit summary current
12:2312:23, 25 March 2011 diff hist −60 Rep:Mod:opus1012 →5.4. Intrinsic Reaction Coordinate (IRC)
12:2112:21, 25 March 2011 diff hist −64 Rep:Mod:opus1012 →5.4. Intrinsic Reaction Coordinate (IRC)
12:1812:18, 25 March 2011 diff hist +475 Rep:Mod:opus1012 →5.4. Intrinsic Reaction Coordinate (IRC)
12:0712:07, 25 March 2011 diff hist +6 Rep:Mod:opus1012 →5.4. Intrinsic Reaction Coordinate (IRC)
12:0512:05, 25 March 2011 diff hist 0 N File:Ircfailed 2.PNG No edit summary current
12:0512:05, 25 March 2011 diff hist +405 Rep:Mod:opus1012 →5.4. Intrinsic Reaction Coordinate (IRC)
12:0212:02, 25 March 2011 diff hist +73 Rep:Mod:opus1012 →5.4. Intrinsic Reaction Coordinate (IRC)
12:0212:02, 25 March 2011 diff hist 0 N File:CHAIR TSOPT(METHOD1)IRC(FORWARD) 50 STEP5.mol No edit summary current
11:5611:56, 25 March 2011 diff hist +209 Rep:Mod:opus1012 →5.4. Intrinsic Reaction Coordinate (IRC)
11:4611:46, 25 March 2011 diff hist +460 Rep:Mod:opus1012 →5.4. Intrinsic Reaction Coordinate (IRC)
10:3710:37, 25 March 2011 diff hist +175 Rep:Mod:opus1012 →5.4. Intrinsic Reaction Coordinate (IRC)
10:2910:29, 25 March 2011 diff hist 0 N File:IRCfailed.PNG No edit summary current
10:2710:27, 25 March 2011 diff hist +76 Rep:Mod:opus1012 →5.4. Intrinsic Reaction Coordinate (IRC)
10:2510:25, 25 March 2011 diff hist 0 N File:Chairstruc40.PNG No edit summary current
10:2310:23, 25 March 2011 diff hist +72 Rep:Mod:opus1012 →5.4. Intrinsic Reaction Coordinate (IRC)
10:2210:22, 25 March 2011 diff hist 0 N File:Chairstruc2.PNG No edit summary current
10:2110:21, 25 March 2011 diff hist +29 Rep:Mod:opus1012 →5.4. Intrinsic Reaction Coordinate (IRC)
10:1910:19, 25 March 2011 diff hist 0 N File:ChairTSpic.PNG No edit summary current
10:0410:04, 25 March 2011 diff hist +1,296 Rep:Mod:opus1012 →5.4. Intrinsic Reaction Coordinate (IRC)
09:4109:41, 25 March 2011 diff hist +147 Rep:Mod:opus1012 →5.4. Intrinsic Reaction Coordinate

21:1821:18, 24 March 2011 diff hist +29 Rep:Mod:opus1012 →5.4. Intrinsic Reaction Coordinate
20:5120:51, 24 March 2011 diff hist +102 Rep:Mod:opus1012 →5.3.5. Optimising the Boat transition structures (QST3 method)
20:4720:47, 24 March 2011 diff hist +1,075 Rep:Mod:opus1012 →5.3.4. Optimising the Boat transition structures (Method 1)
20:3220:32, 24 March 2011 diff hist 0 N File:REACPROD TSOPTFREQ BOATQST3.LOG No edit summary current
20:3120:31, 24 March 2011 diff hist +558 Rep:Mod:opus1012 →5.3.4. Optimising the Boat transition structures (Method 1)
20:2720:27, 24 March 2011 diff hist 0 N File:REACPROD TSOPTFREQ BOATQST3.mol No edit summary current
20:2720:27, 24 March 2011 diff hist −16 Rep:Mod:opus1012 →5.3.5. Optimising the Boat transition structures (QST3 method)
20:2420:24, 24 March 2011 diff hist +133 Rep:Mod:opus1012 →5.3.5. Optimising the Boat transition structures (QST3 method)
20:2320:23, 24 March 2011 diff hist +128 Rep:Mod:opus1012 →5.3.5. Optimising the Boat transition structures (QST3 method)
20:1520:15, 24 March 2011 diff hist 0 N File:QST3 small.png No edit summary current
20:1120:11, 24 March 2011 diff hist 0 Rep:Mod:opus1012 →5.3.5. Optimising the Boat transition structures (QST3 method)
19:4219:42, 24 March 2011 diff hist +529 Rep:Mod:opus1012 →5.3.3. Optimising the Boat transition structures (QST2 method)
19:3219:32, 24 March 2011 diff hist +297 Rep:Mod:opus1012 →5.3.4. Optimising the Boat transition structures (Method 1)
19:2919:29, 24 March 2011 diff hist +264 Rep:Mod:opus1012 →5.3.3. Optimising the Boat transition structures (QST2 method)
19:2819:28, 24 March 2011 diff hist −9 Rep:Mod:opus1012 →5.3.4. Optimising the Boat transition structures (Method 1)
19:2719:27, 24 March 2011 diff hist 0 N File:BOAT TSOPT(METHOD1).LOG No edit summary current
19:2619:26, 24 March 2011 diff hist −2 Rep:Mod:opus1012 →5.3.1. Optimising the Chair transition structures (method 1)
19:2519:25, 24 March 2011 diff hist +492 Rep:Mod:opus1012 →5.3.4. Optimising the Boat transition structures (Method 1)
19:2119:21, 24 March 2011 diff hist +57 Rep:Mod:opus1012 →5.3.4. Optimising the Boat transition structures (Method 1)
19:2019:20, 24 March 2011 diff hist 0 N File:Boat TSOpt(method1) fresh.mol No edit summary current

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