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Uploads by Jjr115

This special page shows all uploaded files.

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Date Name Thumbnail Size Description Versions
15:59, 19 February 2018 REOPT FOR JMOL ETHENE jjr115.LOG (file) 73 KB   1
15:49, 19 February 2018 OPTIMISING ETHENE JJR115 LOG.LOG (file) 77 KB   1
15:03, 19 February 2018 EX 1 IRC JJR115.PNG (file) 193 KB   1
15:00, 19 February 2018 Exercise one TS MO diagram jjr115.PNG (file) 194 KB   2
14:33, 19 February 2018 Exercise 1 IRC JJR115.PNG (file) 193 KB   1
17:30, 17 February 2018 Butadiene ethy jjr115.PNG (file) 3 KB   1
17:03, 17 February 2018 Methods JJR115.PNG (file) 39 KB   1
15:33, 5 May 2017 Potential energy 01066968.png (file) 97 KB   2
15:30, 5 May 2017 Penultimate question 01066968.png (file) 66 KB   3
14:07, 5 May 2017 Second activation energy 01066968.png (file) 37 KB   1
13:56, 5 May 2017 Energy reactants 01066968.png (file) 50 KB   1
13:32, 5 May 2017 Trans State Internuclear Plot three tiles 01066968.png (file) 48 KB   2
12:13, 5 May 2017 Transition state internuclear distance plot 01066968.png (file) 16 KB   1
11:55, 5 May 2017 F-H-H transition state 01066968.png (file) 1 KB   1
11:49, 5 May 2017 Transition State best estimate fluorine zoomed in 01066968.png (file) 29 KB   1
11:46, 5 May 2017 Transition State best estimate fluorine 01066968.png (file) 37 KB   1
00:25, 5 May 2017 Endothermic potential energy 01066968.png (file) 24 KB   1
00:24, 5 May 2017 Exothermic potential energy plot 010666968.png (file) 28 KB   1
15:48, 4 May 2017 Exothermic Diagram 01069968.png (file) 13 KB   1
15:38, 4 May 2017 F-h-h exo or endo 01066968.png (file) 29 KB   1
14:19, 4 May 2017 Case E internuclear dist plot 01066968.png (file) 28 KB   1
14:17, 4 May 2017 Case E trajectory 01066968.png (file) 80 KB   1
14:09, 4 May 2017 Case D barrier recrossing 01066968.png (file) 33 KB   1
14:08, 4 May 2017 Case D trajectory 01066968.png (file) 85 KB   1
13:56, 4 May 2017 Case C trajectory 01066968.png (file) 113 KB   1
13:46, 4 May 2017 Case B distance plot 01066968.png (file) 19 KB   1
13:36, 4 May 2017 Case B trajectory animation 01066968.png (file) 31 KB   1
13:36, 4 May 2017 Case B trajectory 01066968.png (file) 64 KB   1
13:21, 4 May 2017 Case A trajectory 01066968.png (file) 105 KB   1
14:48, 2 May 2017 Dynamic calculation 01066968.png (file) 68 KB   1
14:47, 2 May 2017 Mep calculation 01066968.png (file) 68 KB   1
14:17, 2 May 2017 Transition State Best Estimate 01066968.png (file) 51 KB   1
14:12, 2 May 2017 Transition State Best Estimate Optimising Straight Lines 01066968.png (file) 13 KB   1
14:07, 2 May 2017 Transition State Best Estimate Internuclear Distances 01066968.png (file) 17 KB   2
11:12, 18 March 2016 H2 OPT JJR115 B.LOG (file) 95 KB   2
16:52, 17 March 2016 Mo diagram jjr115 B.png (file) 21 KB   1
16:46, 17 March 2016 Molecular orbital diagram.png (file) 19 KB   1
16:10, 17 March 2016 JJR115 CLF CHARGEaa.png (file) 22 KB   1
16:06, 17 March 2016 JJR115 CLF CHARGE.png (file) 28 KB   2
15:20, 17 March 2016 S overlap.png (file) 13 KB   1
15:20, 17 March 2016 P orbital.png (file) 18 KB   1
15:20, 17 March 2016 Other p orbital.png (file) 18 KB   1
15:19, 17 March 2016 HOMO X2.png (file) 40 KB   1
14:35, 17 March 2016 JJR115 CLF VIBRATIONS.png (file) 1 KB   1
14:25, 17 March 2016 CLF OPT JJR115.LOG (file) 227 KB   1
15:52, 15 March 2016 Jjr115 H2 display vibrations table.png (file) 1 KB   1
17:46, 14 March 2016 JJR115 N2 display vibrations table.png (file) 2 KB   1
17:18, 14 March 2016 N2 OPTIMISATION JJR115.LOG (file) 196 KB   1
16:17, 14 March 2016 Display Vibrations table JJR115.dib (file) 3 KB   1
15:54, 14 March 2016 JJR115 NH3 OPTIMISATION POP.LOG (file) 228 KB   2
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