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User contributions for Sds111

Results for Sds111 talk block log uploads logs

A user with 988 edits. Account created on 20 January 2014.

11:4911:49, 15 March 2014 diff hist +211 Rep:Mod:CHEM121500122000 →Optimizing energies of 1,5-hexadiene
11:4611:46, 15 March 2014 diff hist +510 Rep:Mod:CHEM121500122000 →Optimizing energies of 1,5-hexadiene

14:5014:50, 14 March 2014 diff hist +2 Rep:Mod:CHEM121500122000 →(g) Calculating the activation energy for the reaction using both transition states
14:5014:50, 14 March 2014 diff hist 0 N File:Chair .LOG No edit summary current
14:4914:49, 14 March 2014 diff hist +1 Rep:Mod:CHEM121500122000 →(g) Calculating the activation energy for the reaction using both transition states
14:4914:49, 14 March 2014 diff hist +91 Rep:Mod:CHEM121500122000 →(g) Calculating the activation energy for the reaction using both transition states
14:4814:48, 14 March 2014 diff hist 0 N File:Chair b3lyp.LOG No edit summary current
14:3714:37, 14 March 2014 diff hist 0 Rep:Mod:CHEM121500122000 →IR Data
14:3714:37, 14 March 2014 diff hist +1 Rep:Mod:CHEM121500122000 →IR Data
14:2114:21, 14 March 2014 diff hist +22 Rep:Mod:CHEM121500122000 →(g) Calculating the activation energy for the reaction using both transition states
14:1914:19, 14 March 2014 diff hist −4 Rep:Mod:CHEM121500122000 →(g) Calculating the activation energy for the reaction using both transition states
14:1714:17, 14 March 2014 diff hist 0 N File:631G calc for chair.mol2 No edit summary current
14:1314:13, 14 March 2014 diff hist 0 N File:Boat b3lyp.LOG No edit summary current
14:1314:13, 14 March 2014 diff hist −1 Rep:Mod:CHEM121500122000 →(g) Calculating the activation energy for the reaction using both transition states
14:1214:12, 14 March 2014 diff hist 0 N File:631G CALC FOR BOAT.LOG No edit summary current
14:1214:12, 14 March 2014 diff hist +131 Rep:Mod:CHEM121500122000 →(g) Calculating the activation energy for the reaction using both transition states
14:0914:09, 14 March 2014 diff hist 0 N File:Boat .LOG No edit summary current
13:5213:52, 14 March 2014 diff hist +97 Rep:Mod:CHEM121500122000 →(g) Calculating the activation energy for the reaction using both transition states
13:5113:51, 14 March 2014 diff hist 0 File:Anti2.mol uploaded a new version of "File:Anti2.mol": Reverted to version as of 01:15, 29 November 2013
13:5013:50, 14 March 2014 diff hist 0 File:Anti2.mol uploaded a new version of "File:Anti2.mol"
13:4813:48, 14 March 2014 diff hist 0 N File:Abc.mol No edit summary current
13:4613:46, 14 March 2014 diff hist 0 N File:Anti2 b3lyp.LOG No edit summary current
13:3813:38, 14 March 2014 diff hist +18 Rep:Mod:CHEM121500122000 →(g) Calculating the activation energy for the reaction using both transition states
13:3513:35, 14 March 2014 diff hist +9 Rep:Mod:CHEM121500122000 →(g) Calculating the activation energy for the reaction using both transition states
13:2113:21, 14 March 2014 diff hist +437 Rep:Mod:CHEM121500122000 →1. Running a minimization from the last point on the IRC
13:2113:21, 14 March 2014 diff hist 0 N File:124225anti2bonddistance.png No edit summary current
13:1713:17, 14 March 2014 diff hist 0 N File:124225afteroptoflastofircbonds.png No edit summary current
13:1113:11, 14 March 2014 diff hist −92 Rep:Mod:CHEM121500122000 →IR Data
13:1013:10, 14 March 2014 diff hist −264 Rep:Mod:CHEM121500122000 →IR Data
13:1013:10, 14 March 2014 diff hist +17 Rep:Mod:CHEM121500122000 No edit summary
13:0913:09, 14 March 2014 diff hist +270 Rep:Mod:CHEM121500122000 →IR Data
12:5712:57, 14 March 2014 diff hist −45 Rep:Mod:CHEM121500122000 No edit summary
12:5712:57, 14 March 2014 diff hist 0 File:Anti2B3LYP .LOG uploaded a new version of "File:Anti2B3LYP .LOG" current
12:4512:45, 14 March 2014 diff hist 0 N File:124225afteroptoflastofirc.png No edit summary current
12:4412:44, 14 March 2014 diff hist +127 Rep:Mod:CHEM121500122000 No edit summary
09:0909:09, 14 March 2014 diff hist −7 Rep:Mod:CHEM121500122000 →(e) Optimising the boat TS structure, using the QST2 method
09:0909:09, 14 March 2014 diff hist +6 Rep:Mod:CHEM121500122000 →(e) Optimising the boat TS structure, using the QST2 method
09:0809:08, 14 March 2014 diff hist −29 Rep:Mod:CHEM121500122000 →(e) Optimising the boat TS structure, using the QST2 method
09:0709:07, 14 March 2014 diff hist 0 File:124225vibrationat840v3.gif uploaded a new version of "File:124225vibrationat840v3.gif" current
09:0409:04, 14 March 2014 diff hist +6 Rep:Mod:CHEM121500122000 →(f) Intrinsic Reaction Coordinate Method
09:0309:03, 14 March 2014 diff hist −6 Rep:Mod:CHEM121500122000 →(f) Intrinsic Reaction Coordinate Method
09:0309:03, 14 March 2014 diff hist −6 Rep:Mod:CHEM121500122000 →(f) Intrinsic Reaction Coordinate Method
09:0209:02, 14 March 2014 diff hist +20 Rep:Mod:CHEM121500122000 →(e) Optimising the boat TS structure, using the QST2 method
09:0009:00, 14 March 2014 diff hist +92 Rep:Mod:CHEM121500122000 →IR Data
08:5808:58, 14 March 2014 diff hist +46 Rep:Mod:CHEM121500122000 →Comparison between the HF/3-21G and B3LYP/6-31G* levels of theory.
08:5508:55, 14 March 2014 diff hist 0 File:Anti2B3LYP .LOG uploaded a new version of "File:Anti2B3LYP .LOG"

15:4715:47, 13 March 2014 diff hist +21 Rep:Mod:CHEM121500122000 →(g) Calculating the activation energy for the reaction using both transition states
15:0915:09, 13 March 2014 diff hist +27 Rep:Mod:CHEM121500122000 →(g) Calculating the activation energy for the reaction using both transition states
15:0815:08, 13 March 2014 diff hist 0 N File:124225 TS GUESS.LOG No edit summary current
15:0815:08, 13 March 2014 diff hist −5 Rep:Mod:CHEM121500122000 →2. Restart the IRC with a larger number of points

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