User contributions for St4215
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17 October 2017
- 14:5214:52, 17 October 2017 diff hist +101 Rep:Transition states (st4215) →Optimised molecules
- 14:3314:33, 17 October 2017 diff hist +9 Rep:Transition states (st4215) →Optimised molecules
- 14:3014:30, 17 October 2017 diff hist +1,119 Rep:Transition states (st4215) →Optimised molecules
- 14:2814:28, 17 October 2017 diff hist 0 N File:CYCLOHEXENE TS OPTFREQ2 PM6.LOG No edit summary current
- 14:2114:21, 17 October 2017 diff hist −5 Rep:Transition states (st4215) →Optimised molecules
- 14:2114:21, 17 October 2017 diff hist −1,266 Rep:Transition states (st4215) →Optimised molecules
- 14:1914:19, 17 October 2017 diff hist +559 Rep:Transition states (st4215) →Optimised molecules
- 14:0914:09, 17 October 2017 diff hist +796 Rep:Transition states (st4215) →Optimised molecules
- 13:3113:31, 17 October 2017 diff hist +152 Rep:Transition states (st4215) →Optimised molecules
- 09:5509:55, 17 October 2017 diff hist +281 Rep:Transition states (st4215) →Optimised molecules
- 09:5409:54, 17 October 2017 diff hist −1 Rep:Transition states (st4215) →Optimised molecules
- 09:5409:54, 17 October 2017 diff hist +284 Rep:Transition states (st4215) →Optimised molecules
- 09:5309:53, 17 October 2017 diff hist 0 N File:ETHYLENE OPTFREQ2 PM6.LOG No edit summary current
- 09:5209:52, 17 October 2017 diff hist +285 Rep:Transition states (st4215) →Optimised molecules
- 09:5109:51, 17 October 2017 diff hist +15 Rep:Transition states (st4215) →Optimised molecules
- 09:4809:48, 17 October 2017 diff hist 0 N File:BUTADIENE OPTFREQ2 PM6.LOG No edit summary
- 09:4609:46, 17 October 2017 diff hist +412 Rep:Transition states (st4215) →Exercise 1: Reaction of Butadiene with Ethylene
16 October 2017
- 16:4016:40, 16 October 2017 diff hist +37 Rep:Transition states (st4215) →Exercise 1
- 16:3316:33, 16 October 2017 diff hist +16 N Rep:Transition states (st4215) Created page with "== Exercise 1 =="
12 May 2017
- 15:3915:39, 12 May 2017 diff hist +13 St4215 No edit summary current
- 15:3615:36, 12 May 2017 diff hist −30,532 St4215 Blanked the page
- 15:3415:34, 12 May 2017 diff hist +30,532 N Molecular Reaction Dynamics (st4215) Created page with "In this computational lab, the reactivity of triatomic systems - where a single atom and a diatomic molecule collide - is studied. This is done by calculating Molecular Dynami..."
- 15:3215:32, 12 May 2017 diff hist +1 St4215 →Investigating Polanyi's empirical rules
- 15:3215:32, 12 May 2017 diff hist +77 St4215 →Investigating Polanyi's empirical rules
- 15:3015:30, 12 May 2017 diff hist +12 St4215 →Activation energy
- 15:2315:23, 12 May 2017 diff hist −55 St4215 →Locating the transition state
- 15:2215:22, 12 May 2017 diff hist −398 St4215 →Trajectories from the transition state
- 15:2215:22, 12 May 2017 diff hist −6 St4215 →Investigating Polanyi's empirical rules
- 15:2115:21, 12 May 2017 diff hist +277 St4215 →Investigating Polanyi's empirical rules
- 15:1815:18, 12 May 2017 diff hist +252 St4215 →Investigating Polanyi's empirical rules
- 15:1815:18, 12 May 2017 diff hist 0 N File:St4215 image41.PNG No edit summary current
- 15:1715:17, 12 May 2017 diff hist 0 N File:St4215 image39.PNG No edit summary current
- 15:1715:17, 12 May 2017 diff hist 0 N File:St4215 image35.PNG No edit summary current
- 15:1315:13, 12 May 2017 diff hist 0 N File:St4215 image45.PNG No edit summary current
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- 15:1215:12, 12 May 2017 diff hist 0 N File:St4215 image43.PNG No edit summary current
- 14:5914:59, 12 May 2017 diff hist +1 St4215 →Reaction dynamics
- 14:5714:57, 12 May 2017 diff hist +760 St4215 →Reaction energy
- 14:3614:36, 12 May 2017 diff hist 0 N File:St4215 image42.PNG No edit summary current
- 14:3014:30, 12 May 2017 diff hist −12 St4215 →Investigating Polanyi's empirical rules
- 14:3014:30, 12 May 2017 diff hist +687 St4215 →Investigating Polanyi's empirical rules
- 14:2914:29, 12 May 2017 diff hist 0 N File:St4215 image33.PNG No edit summary current
- 14:2914:29, 12 May 2017 diff hist 0 N File:St4215 image32.PNG No edit summary current
- 14:2914:29, 12 May 2017 diff hist 0 N File:St4215 image31.PNG No edit summary current
- 14:2214:22, 12 May 2017 diff hist +40 St4215 →Investigating Polanyi's empirical rules
- 14:2114:21, 12 May 2017 diff hist +726 St4215 →Investigating Polanyi's empirical rules
- 14:2114:21, 12 May 2017 diff hist 0 N File:St4215 image30.PNG No edit summary current
- 14:2114:21, 12 May 2017 diff hist 0 N File:St4215 image29.PNG No edit summary current
- 14:2114:21, 12 May 2017 diff hist 0 N File:St4215 image28.PNG No edit summary current
- 14:2114:21, 12 May 2017 diff hist 0 N File:St4215 image27.PNG No edit summary current