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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.

15:0815:08, 13 March 2014 diff hist +29 Rep:Mod:CHEM121500122000 →(g) Calculating the activation energy for the reaction using both transition states
14:4614:46, 13 March 2014 diff hist +1,334 Rep:Mod:CHEM121500122000 →(g) Calculating the activation energy for the reaction using both transition states
14:0714:07, 13 March 2014 diff hist +3 Rep:Mod:CHEM121500122000 →2. Restart the IRC with a larger number of points
14:0614:06, 13 March 2014 diff hist 0 N File:IRCCALC70STEP.LOG No edit summary current
14:0614:06, 13 March 2014 diff hist +97 Rep:Mod:CHEM121500122000 →2. Restart the IRC with a larger number of points
14:0414:04, 13 March 2014 diff hist −27 Rep:Mod:CHEM121500122000 →Optimizing energies of 1,5-hexadiene
13:4513:45, 13 March 2014 diff hist +27 Rep:Mod:CHEM121500122000 →Optimizing energies of 1,5-hexadiene
13:3913:39, 13 March 2014 diff hist +220 Rep:Mod:CHEM121500122000 No edit summary
13:3113:31, 13 March 2014 diff hist −1 Rep:Mod:CHEM121500122000 →(f) Intrinsic Reaction Coordinate Method
13:3013:30, 13 March 2014 diff hist +212 Rep:Mod:CHEM121500122000 No edit summary
13:3013:30, 13 March 2014 diff hist 0 N File:Irccalclaststructure2.png No edit summary current
13:3013:30, 13 March 2014 diff hist 0 N File:Irccalclaststructure.png No edit summary current
13:2313:23, 13 March 2014 diff hist 0 N File:MovieofIRC.gif No edit summary
13:2213:22, 13 March 2014 diff hist +116 Rep:Mod:CHEM121500122000 No edit summary
12:5212:52, 13 March 2014 diff hist −265 Rep:Mod:CHEM121500122000 →(g) Calculating the activation energy for the reaction using both transition states
12:4712:47, 13 March 2014 diff hist +351 Rep:Mod:CHEM121500122000 →(g) Calculating the activation energy for the reaction using both transition states
12:4512:45, 13 March 2014 diff hist +42 Rep:Mod:CHEM121500122000 →(g) Calculating the activation energy for the reaction using both transition states
12:3812:38, 13 March 2014 diff hist +122 Rep:Mod:CHEM121500122000 →(g) Calculating the activation energy for the reaction using both transition states
12:2412:24, 13 March 2014 diff hist +414 Rep:Mod:CHEM121500122000 →(f) Intrinsic Reaction Coordinate Method
11:3411:34, 13 March 2014 diff hist +93 Rep:Mod:CHEM121500122000 →(e) Optimising the boat TS structure, using the QST2 method
11:3411:34, 13 March 2014 diff hist 0 N File:124225numberedatoms.png No edit summary current
11:2811:28, 13 March 2014 diff hist +172 Rep:Mod:CHEM121500122000 →(e) Optimising the boat TS structure, using the QST2 method
11:2111:21, 13 March 2014 diff hist +5 Rep:Mod:CHEM121500122000 →(e) Optimising the boat TS structure, using the QST2 method
11:2011:20, 13 March 2014 diff hist +2 Rep:Mod:CHEM121500122000 →(e) Optimising the boat TS structure, using the QST2 method
11:2011:20, 13 March 2014 diff hist 0 N File:124225vibrationat840v3.gif No edit summary
11:1811:18, 13 March 2014 diff hist 0 N File:124225vibrationat840v2.gif No edit summary current
11:1511:15, 13 March 2014 diff hist 0 N File:Vibration840.gif No edit summary current
11:1411:14, 13 March 2014 diff hist 0 N File:124225vibrationat840.gif No edit summary current
11:1411:14, 13 March 2014 diff hist +260 Rep:Mod:CHEM121500122000 →(e) Optimising the boat TS structure, using the QST2 method

22:0322:03, 11 March 2014 diff hist +108 Rep:Mod:CHEM121500122000 No edit summary
21:4721:47, 11 March 2014 diff hist +222 Rep:Mod:CHEM121500122000 →Part 1: The Cope Rearrangement
15:2715:27, 11 March 2014 diff hist +116 Rep:Mod:CHEM121500122000 →(e) Optimising the boat TS structure, using the QST2 method
15:2715:27, 11 March 2014 diff hist 0 N File:124225parteboatview2.png No edit summary current
15:2515:25, 11 March 2014 diff hist 0 N File:124225parteboat.png No edit summary current
15:2515:25, 11 March 2014 diff hist +112 Rep:Mod:CHEM121500122000 →(e) Optimising the boat TS structure, using the QST2 method
15:2415:24, 11 March 2014 diff hist +106 Rep:Mod:CHEM121500122000 →(e) Optimising the boat TS structure, using the QST2 method
14:3214:32, 11 March 2014 diff hist +87 Rep:Mod:CHEM121500122000 →(c) Optimising the structure using the frozen coordinate method.
14:0714:07, 11 March 2014 diff hist +54 Rep:Mod:CHEM121500122000 →(c) Optimising the structure using the frozen coordinate method.
14:0314:03, 11 March 2014 diff hist +189 Rep:Mod:CHEM121500122000 →(b) Optimising to a TS (Berny) for a chair TS.
14:0214:02, 11 March 2014 diff hist 0 N File:124225partc.png No edit summary current
13:5113:51, 11 March 2014 diff hist +12 Rep:Mod:CHEM121500122000 →(b) Optimising to a TS (Berny) for a chair TS.
13:4713:47, 11 March 2014 diff hist +62 Rep:Mod:CHEM121500122000 →(b) Optimising to a TS (Berny) for a chair TS.
13:4613:46, 11 March 2014 diff hist 0 N File:124225optimisedchairTS1irspectrum.svg No edit summary current
13:4413:44, 11 March 2014 diff hist +601 Rep:Mod:CHEM121500122000 →An allyl (CH2CHCH2) fragment was optimised at the HF/3-21G level of theory.
13:4413:44, 11 March 2014 diff hist 0 N File:124225optimisedchairTS1.png No edit summary current
13:4313:43, 11 March 2014 diff hist 0 N File:124225optimisedchairTS1view2.png No edit summary current
13:3113:31, 11 March 2014 diff hist −8 Rep:Mod:CHEM121500122000 No edit summary
13:3113:31, 11 March 2014 diff hist 0 N File:124225tsguess818v2.gif No edit summary current
13:2813:28, 11 March 2014 diff hist 0 N File:124225tsguess818.gif No edit summary current
13:2713:27, 11 March 2014 diff hist +3 Rep:Mod:CHEM121500122000 No edit summary

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