User contributions for Pkm08

17 December 2010

• 14:4014:40, 17 December 2010 diff hist +78 Rep:Mod:ma →part iii
• 14:3814:38, 17 December 2010 diff hist +114 Rep:Mod:ma →part iii
• 14:3514:35, 17 December 2010 diff hist +554 Rep:Mod:ma →part iii
• 14:2514:25, 17 December 2010 diff hist +233 Rep:Mod:ma →part iii

16 December 2010

• 16:5016:50, 16 December 2010 diff hist +15 Rep:Mod:ma →Diels Alder cycloaddition
• 16:4816:48, 16 December 2010 diff hist +3 m Rep:Mod:ma →Part e
• 16:4316:43, 16 December 2010 diff hist +10 Rep:Mod:ma →Part c
• 16:3916:39, 16 December 2010 diff hist 0 Rep:Mod:ma →Diels Alder cycloaddition
• 16:3716:37, 16 December 2010 diff hist −6 Rep:Mod:ma →Part b
• 16:3516:35, 16 December 2010 diff hist +1 Rep:Mod:ma →Diels Alder cycloaddition
• 16:3316:33, 16 December 2010 diff hist −75 Rep:Mod:ma →Cope Rearrangement
• 16:3316:33, 16 December 2010 diff hist −47 Rep:Mod:ma →Part c
• 16:3216:32, 16 December 2010 diff hist +71 Rep:Mod:ma →part iii
• 16:2916:29, 16 December 2010 diff hist +31 Rep:Mod:ma →Diels Alder cycloaddition
• 16:2816:28, 16 December 2010 diff hist 0 Rep:Mod:ma →Diels Alder cycloaddition
• 16:2716:27, 16 December 2010 diff hist +61 Rep:Mod:ma →Part f
• 16:2616:26, 16 December 2010 diff hist +8 Rep:Mod:ma →Part e
• 16:2416:24, 16 December 2010 diff hist +54 Rep:Mod:ma →Part e
• 16:2116:21, 16 December 2010 diff hist +31 Rep:Mod:ma →Part d
• 16:1916:19, 16 December 2010 diff hist +32 Rep:Mod:ma →Part b
• 15:5215:52, 16 December 2010 diff hist +31 Rep:Mod:ma →Part f - Second optimisation of anti-2-1,5-hexadiene using DFT/B3LYP/6-31G(d)
• 15:5115:51, 16 December 2010 diff hist +61 Rep:Mod:ma →Part c and d
• 15:4815:48, 16 December 2010 diff hist +33 Rep:Mod:ma →Part b
• 15:4715:47, 16 December 2010 diff hist +60 Rep:Mod:ma →Part c and d
• 15:4415:44, 16 December 2010 diff hist +32 Rep:Mod:ma →Part a
• 15:4015:40, 16 December 2010 diff hist +441 Rep:Mod:ma →part iii
• 15:3915:39, 16 December 2010 diff hist 0 N File:3pkmOpt MA.mol No edit summary current
• 15:3915:39, 16 December 2010 diff hist 0 N File:3pkmOpt cyclo.mol No edit summary current
• 15:3815:38, 16 December 2010 diff hist +400 Rep:Mod:ma →part iii
• 15:3715:37, 16 December 2010 diff hist 0 N File:3pkmEndoTS.mol No edit summary current
• 15:3715:37, 16 December 2010 diff hist 0 N File:3pkmExoTS.mol No edit summary current
• 15:3615:36, 16 December 2010 diff hist +230 Rep:Mod:ma →Diels Alder cycloaddition
• 15:3615:36, 16 December 2010 diff hist 0 N File:3pkmDA TS.mol No edit summary current
• 15:3415:34, 16 December 2010 diff hist +435 Rep:Mod:ma →Diels Alder cycloaddition
• 15:3415:34, 16 December 2010 diff hist 0 N File:3pkmOpt buta.mol No edit summary current
• 15:3315:33, 16 December 2010 diff hist 0 N File:3pkmOpt ethene.mol No edit summary current
• 15:3215:32, 16 December 2010 diff hist +223 Rep:Mod:ma →Part e
• 15:3215:32, 16 December 2010 diff hist 0 N File:3pkmQTS2 altered.mol No edit summary current
• 15:3015:30, 16 December 2010 diff hist +404 Rep:Mod:ma →Part f
• 15:3015:30, 16 December 2010 diff hist 0 N File:3pkm2nd IRC.mol No edit summary current
• 15:3015:30, 16 December 2010 diff hist 0 N File:3pkm1st IRC.mol No edit summary current
• 14:3014:30, 16 December 2010 diff hist +276 Rep:Mod:ma →Part d
• 14:2914:29, 16 December 2010 diff hist 0 N File:3pkmChair ts guess again unfrozen coor final.mol No edit summary current
• 14:2714:27, 16 December 2010 diff hist +261 Rep:Mod:ma →Part b
• 14:2614:26, 16 December 2010 diff hist 0 N File:3pkmChair ts guess final Opt TS Berny 2partb.mol No edit summary current
• 14:2614:26, 16 December 2010 diff hist +212 Rep:Mod:ma →Part a
• 14:2514:25, 16 December 2010 diff hist 0 N File:3pkmC3H5 opt2.mol No edit summary current
• 14:2414:24, 16 December 2010 diff hist +251 Rep:Mod:ma →Part f - Second optimisation of anti-2-1,5-hexadiene using DFT/B3LYP/6-31G(d)
• 14:2414:24, 16 December 2010 diff hist 0 N File:3pkmAnti2 631gd react freq.mol No edit summary current
• 14:2314:23, 16 December 2010 diff hist +201 Rep:Mod:ma →Part e