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User contributions for Gc2109

Results for Gc2109 talk block log uploads logs

A user with 1,518 edits. Account created on 16 January 2012.

20:3420:34, 15 February 2012 diff hist 0 N File:ChairallFC energy IRC gc2109.jpg No edit summary current
20:2920:29, 15 February 2012 diff hist −94 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Intrinsic Reaction Coordinate
20:2920:29, 15 February 2012 diff hist −47 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →(3)Re-run the IRC calculation with Force Constants calculated at each step
20:2820:28, 15 February 2012 diff hist −47 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →(2)Re-run the IRC calculation with a higher maximum number of steps
20:2820:28, 15 February 2012 diff hist −46 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →(1)New Optimisation on the Final IRC geometry
20:2820:28, 15 February 2012 diff hist +185 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →(1)New Optimisation on the Final IRC geometry
20:2820:28, 15 February 2012 diff hist 0 N File:OptmethodCHAIRgc2109.jpg No edit summary current
20:2420:24, 15 February 2012 diff hist +84 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →(2)Re-run the IRC calculation with a higher maximum number of steps
20:2320:23, 15 February 2012 diff hist +12 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →(3)Re-run the IRC calculation with Force Constants calculated at each step
20:2320:23, 15 February 2012 diff hist +12 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →(3)Re-run the IRC calculation with Force Constants calculated at each step
20:2220:22, 15 February 2012 diff hist 0 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →(1)New Optimisation on the Final IRC geometry
20:2220:22, 15 February 2012 diff hist −64 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →(1)New Optimisation on the Final IRC geometry
20:2220:22, 15 February 2012 diff hist 0 N File:BOATfinalstructureoptmethodgc2109.jpg No edit summary current
20:1820:18, 15 February 2012 diff hist +46 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →IRC for the Boat Transition State
20:1720:17, 15 February 2012 diff hist +72 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →IRC for the Chair Transition State
20:1720:17, 15 February 2012 diff hist +23 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →IRC for the Boat Transition State
20:1520:15, 15 February 2012 diff hist 0 N File:AllFCIRCmoviegc2109.gif No edit summary current
20:1520:15, 15 February 2012 diff hist 0 N File:FirstIRCmoviegc2109.gif No edit summary current
20:1520:15, 15 February 2012 diff hist 0 N File:Morepointschiargc2109.gif No edit summary current
20:1520:15, 15 February 2012 diff hist 0 N File:AllFCchiargc2109.gif No edit summary current
20:0720:07, 15 February 2012 diff hist +10 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →IRC for the Chair Transition State
20:0620:06, 15 February 2012 diff hist 0 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →(2)Re-run the IRC calculation with a higher maximum number of steps
20:0520:05, 15 February 2012 diff hist +10 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →(3)Re-run the IRC calculation with Force Constants calculated at each step
20:0220:02, 15 February 2012 diff hist +44 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →IRC for the Chair Transition State
20:0120:01, 15 February 2012 diff hist +32 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →IRC for the Boat Transition State
20:0120:01, 15 February 2012 diff hist −167 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →IRC for the Boat Transition State
20:0020:00, 15 February 2012 diff hist +33 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →(3)Re-run the IRC calculation with Force Constants calculated at each step
20:0020:00, 15 February 2012 diff hist +57 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →(2)Re-run the IRC calculation with a higher maximum number of steps
19:5619:56, 15 February 2012 diff hist −5 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →IRC for the Chair Transition State
19:5319:53, 15 February 2012 diff hist 0 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →IRC for the Boat Transition State
19:5119:51, 15 February 2012 diff hist +929 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →IRC for the Boat Transition State
19:5119:51, 15 February 2012 diff hist +464 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →IRC for the Chair Transition State
19:5019:50, 15 February 2012 diff hist 0 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →IRC for the Chair Transition State
19:5019:50, 15 February 2012 diff hist +234 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →IRC for the Chair Transition State
19:4219:42, 15 February 2012 diff hist 0 N File:Chair energy IRC gc2109.jpg No edit summary current
19:4219:42, 15 February 2012 diff hist 0 N File:Chair RMS IRC gc2109.jpg No edit summary current
19:4219:42, 15 February 2012 diff hist 0 N File:Boat IRC RMS gc2109.jpg No edit summary current
19:4219:42, 15 February 2012 diff hist 0 N File:Boat IRC energy gc2109.jpg No edit summary current
19:3519:35, 15 February 2012 diff hist +6 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →==
19:3219:32, 15 February 2012 diff hist +359 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →==
19:2719:27, 15 February 2012 diff hist +98 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimising the Boat TS
19:2619:26, 15 February 2012 diff hist +121 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimising the Boat TS
19:2319:23, 15 February 2012 diff hist +20 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimising the Chair TS
19:2319:23, 15 February 2012 diff hist 0 N File:Numberedhexadienesstraightgc2109.jpg No edit summary current
19:2319:23, 15 February 2012 diff hist 0 N File:Numberedhexadienesstraight2gc2109.jpg No edit summary current
19:2319:23, 15 February 2012 diff hist 0 N File:Numberedhexadienebentgc2109.jpg No edit summary current
19:2319:23, 15 February 2012 diff hist 0 N File:Numberedhexadienebent2gc2109.jpg No edit summary current
19:2319:23, 15 February 2012 diff hist 0 N File:Guessed chair ts.jpg No edit summary current
19:1119:11, 15 February 2012 diff hist −164 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →==
19:0819:08, 15 February 2012 diff hist +86 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →==

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