User contributions for Elc08
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24 March 2011
- 18:0218:02, 24 March 2011 diff hist +700 Rep:Mod3:man7286 →Reaction Between Cyclohexa-1,3-diene and Maleic Anhydride
- 17:5517:55, 24 March 2011 diff hist +493 Rep:Mod3:man7286 →Optimisation of exo- and endo- Transition States
- 17:1517:15, 24 March 2011 diff hist 0 N File:Elc mod3 cyclohexene.mol No edit summary current
- 17:1517:15, 24 March 2011 diff hist 0 N File:Elc mod3 cyclohex ts.mol No edit summary current
- 17:1417:14, 24 March 2011 diff hist +158 Rep:Mod3:man7286 →Reaction Between ''cis''-Butadiene and Ethene
- 17:1217:12, 24 March 2011 diff hist 0 N File:Elc mod3 tslumo.jpg No edit summary current
- 17:1217:12, 24 March 2011 diff hist 0 N File:Elc mod3 tshomo.jpg No edit summary current
- 17:1117:11, 24 March 2011 diff hist +303 Rep:Mod3:man7286 →Reaction Between ''cis''-Butadiene and Ethene
- 16:5916:59, 24 March 2011 diff hist −3 Rep:Mod3:man7286 →Optimisation of ''cis''-Butadiene
- 16:5416:54, 24 March 2011 diff hist −2 Rep:Mod3:man7286 →Optimisation of Cyclohexene Product
- 16:4516:45, 24 March 2011 diff hist +62 Rep:Mod3:man7286 →Diels Alder Cycloaddition
- 16:4416:44, 24 March 2011 diff hist −77 Rep:Mod3:man7286 →Reaction Between ''cis''-Butadiene and Ethene
- 16:4416:44, 24 March 2011 diff hist −76 Rep:Mod3:man7286 →Optimisation of Intermediate
- 16:2216:22, 24 March 2011 diff hist +154 Rep:Mod3:man7286 →Optimisation of ''cis''-Butadiene
- 16:2116:21, 24 March 2011 diff hist 0 N File:Elc mod3 butadiene.mol No edit summary current
- 16:2016:20, 24 March 2011 diff hist +50 Rep:Mod3:man7286 →Frozen Coordinate Method
- 16:1216:12, 24 March 2011 diff hist 0 N File:Elc mod3 endo.mol No edit summary current
- 16:1216:12, 24 March 2011 diff hist 0 N File:Elc mod3 exo.mol No edit summary current
- 16:1216:12, 24 March 2011 diff hist +550 Rep:Mod3:man7286 →Optimisation of exo- and endo- Transition States
- 15:4915:49, 24 March 2011 diff hist −47 Rep:Mod3:man7286 →Optimisation of ''cis''-Butadiene
- 12:4312:43, 24 March 2011 diff hist 0 N File:Elc cyclohex LUMO.jpg No edit summary current
- 12:4212:42, 24 March 2011 diff hist 0 N File:Elc cyclohex HOMO.jpg No edit summary current
23 March 2011
- 17:5917:59, 23 March 2011 diff hist +260 Rep:Mod3:man7286 →Optimisation of Cyclohexene Product
- 17:5317:53, 23 March 2011 diff hist +101 Rep:Mod3:man7286 →Optimisation of Intermediate
- 17:4217:42, 23 March 2011 diff hist +114 Rep:Mod3:man7286 →Diels Alder Cycloaddition
- 17:3917:39, 23 March 2011 diff hist +103 Rep:Mod3:man7286 →Optimisation of ''cis''-Butadiene
22 March 2011
- 17:3117:31, 22 March 2011 diff hist +153 Rep:Mod3:man7286 →Optimisation of ''cis''-Butadiene
- 17:0617:06, 22 March 2011 diff hist +32 Rep:Mod3:man7286 →Optimisation of ''cis''-Butadiene
- 17:0517:05, 22 March 2011 diff hist +54 Rep:Mod3:man7286 →Optimisation of ''cis''-Butadiene
- 16:5016:50, 22 March 2011 diff hist +12 Rep:Mod3:man7286 →Optimisation of ''cis''-Butadiene
- 16:4916:49, 22 March 2011 diff hist 0 N File:Elc mod3 lumo.jpg No edit summary current
- 16:4916:49, 22 March 2011 diff hist 0 N File:Elc mod3 homo.jpg No edit summary current
- 16:4916:49, 22 March 2011 diff hist +19 Rep:Mod3:man7286 →Optimisation of ''cis''-Butadiene
- 16:4816:48, 22 March 2011 diff hist +188 Rep:Mod3:man7286 →Diels Alder Cycloaddition
- 16:3316:33, 22 March 2011 diff hist +1 Rep:Mod3:man7286 →= i) Optimisation of Final Geometry
- 16:3216:32, 22 March 2011 diff hist +72 Rep:Mod3:man7286 No edit summary
- 16:2916:29, 22 March 2011 diff hist +46 Rep:Mod3:man7286 →g) Reoptimisation of Chair and Boat Geometries
- 16:2616:26, 22 March 2011 diff hist +179 Rep:Mod3:man7286 →g) Reoptimisation of Chair and Boat Geometries
- 16:2616:26, 22 March 2011 diff hist 0 N File:Elc boattsenergies.jpg No edit summary current
- 16:2416:24, 22 March 2011 diff hist 0 N File:Elc chairtsenergies.jpg No edit summary current
- 16:1116:11, 22 March 2011 diff hist +47 Rep:Mod3:man7286 →Reoptimisation at Higher Accuracy Method
- 15:5715:57, 22 March 2011 diff hist +24 Rep:Mod3:man7286 →g) Reoptimisation of Chair and Boat Geometries
- 15:5515:55, 22 March 2011 diff hist +40 Rep:Mod3:man7286 →g) Reoptimisation of Chair and Boat Geometries
- 15:5215:52, 22 March 2011 diff hist +507 Rep:Mod3:man7286 →iii) Re-run IRC computing Force Constants at Every Step
- 15:4915:49, 22 March 2011 diff hist 0 N File:Elc mod3 chair irc iii opt.mol No edit summary current
- 15:4715:47, 22 March 2011 diff hist 0 N File:Elc chair irciii graphs.jpg No edit summary current
- 15:4515:45, 22 March 2011 diff hist 0 N File:Elc mod3 chair irc iii.mol No edit summary current
- 15:3315:33, 22 March 2011 diff hist +510 Rep:Mod3:man7286 →Optimising the Chair and Boat Transition Structures
- 15:3115:31, 22 March 2011 diff hist 0 N File:Elc mod3 chair reopt.mol No edit summary current
- 15:2915:29, 22 March 2011 diff hist 0 N File:Elc mod3 boat reopt.mol No edit summary current