User contributions for Ytw08
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17 February 2011
- 17:4817:48, 17 February 2011 diff hist +6 Rep:Mod:intersect →Molecular Orbitals
- 17:4817:48, 17 February 2011 diff hist +24 Rep:Mod:intersect →Molecular Orbitals
- 17:4717:47, 17 February 2011 diff hist 0 N File:Orbital.png No edit summary current
- 17:2917:29, 17 February 2011 diff hist +34 Rep:Mod:intersect →Cycloaddition of Cyclohexa-1,3-diene and Maleic Anhydride
- 17:2817:28, 17 February 2011 diff hist 0 Rep:Mod:intersect →cis-Butadiene and Ethylene
- 17:2817:28, 17 February 2011 diff hist 0 N File:Reaction2 wu.png No edit summary current
- 17:1917:19, 17 February 2011 diff hist +34 Rep:Mod:intersect →cis-Butadiene and Ethylene
- 17:1817:18, 17 February 2011 diff hist 0 N File:Reaction1 wu.png No edit summary current
- 17:0717:07, 17 February 2011 diff hist −143 Rep:Mod:intersect →Activation energies for the transition states
- 17:0517:05, 17 February 2011 diff hist +26 Rep:Mod:intersect →Optimisation of ''Boat'' transition state
- 17:0317:03, 17 February 2011 diff hist +1,637 Rep:Mod:intersect →Activation energies for the transition states
- 15:3815:38, 17 February 2011 diff hist +15 Rep:Mod:intersect →References
- 15:3515:35, 17 February 2011 diff hist +152 Rep:Mod:intersect →Activation energies for the transition states
- 15:3115:31, 17 February 2011 diff hist +761 Rep:Mod:intersect →Intrinsic Reaction Coordinate (IRC) of ''Chair'' transition state
- 15:0615:06, 17 February 2011 diff hist −78 Rep:Mod:intersect →Intrinsic Reaction Coordinate (IRC) of ''Chair'' transition state
- 15:0415:04, 17 February 2011 diff hist +709 Rep:Mod:intersect →Intrinsic Reaction Coordinate (IRC) of ''Chair'' transition state
- 14:4914:49, 17 February 2011 diff hist 0 Rep:Mod:intersect →Optimisation of ''Boat'' transition state
- 14:4814:48, 17 February 2011 diff hist +286 Rep:Mod:intersect →Optimisation of ''Boat'' transition state
- 14:4514:45, 17 February 2011 diff hist +435 Rep:Mod:intersect →Optimisation of ''Boat'' transition state
- 14:3314:33, 17 February 2011 diff hist +850 Rep:Mod:intersect →Optimisation of ''Boat'' transition state
- 14:0714:07, 17 February 2011 diff hist −18 Rep:Mod:intersect →Optimisation of ''Chair'' transition state
- 14:0414:04, 17 February 2011 diff hist −320 Rep:Mod:intersect →Optimisation of ''Chair'' transition state
- 14:0314:03, 17 February 2011 diff hist +867 Rep:Mod:intersect →Optimisation of ''Chair'' transition state
- 13:5813:58, 17 February 2011 diff hist −517 Rep:Mod:intersect →Optimisation of ''Chair'' transition state
- 13:2113:21, 17 February 2011 diff hist +519 Rep:Mod:intersect →Optimisation of ''Chair'' transition state
- 13:1313:13, 17 February 2011 diff hist +570 Rep:Mod:intersect →Optimisation of ''Chair'' transition state
- 13:0113:01, 17 February 2011 diff hist +21 Rep:Mod:intersect →Optimisation of ''Chair'' transition state
- 13:0013:00, 17 February 2011 diff hist +773 Rep:Mod:intersect →Optimisation of transition state structures
- 12:4712:47, 17 February 2011 diff hist −106 Rep:Mod:intersect →Thermochemistry of ''Anti-2'' conformer
- 12:4612:46, 17 February 2011 diff hist +769 Rep:Mod:intersect →Thermochemistry of ''Anti-2'' conformer
- 12:4212:42, 17 February 2011 diff hist +21 Rep:Mod:intersect →Thermochemistry of ''Anti-2'' conformer
- 12:2312:23, 17 February 2011 diff hist +647 Rep:Mod:intersect →Thermochemistry of ''Anti-2'' conformer
- 12:1512:15, 17 February 2011 diff hist +56 Rep:Mod:intersect →Comparison between HF/3-21G and DFT/B3LYP/6-31G(d) Optimisation
- 12:1212:12, 17 February 2011 diff hist +159 Rep:Mod:intersect →Comparison between HF/3-21G and DFT/B3LYP/6-31G(d) Optimisation
- 12:0512:05, 17 February 2011 diff hist 0 Rep:Mod:intersect →Optimisation of the exo and endo transition states
- 11:5311:53, 17 February 2011 diff hist +223 Rep:Mod:intersect →Comparison between HF/3-21G and DFT/B3LYP/6-31G(d) Optimisation
- 11:5011:50, 17 February 2011 diff hist +64 Rep:Mod:intersect →Optimisation with HF/3-21G
- 11:4911:49, 17 February 2011 diff hist 0 Rep:Mod:intersect →Optimisation with HF/3-21G
- 11:4811:48, 17 February 2011 diff hist +226 Rep:Mod:intersect →Comparison between HF/3-21G and DFT/B3LYP/6-31G(d) Optimisation
- 11:4611:46, 17 February 2011 diff hist +157 Rep:Mod:intersect →Optimisation with HF/3-21G
- 11:4511:45, 17 February 2011 diff hist +38 Rep:Mod:intersect →Optimisation with HF/3-21G
- 11:4211:42, 17 February 2011 diff hist +419 Rep:Mod:intersect →Optimisation with HF/3-21G
- 11:3211:32, 17 February 2011 diff hist +44 Rep:Mod:intersect →Optimisation with HF/3-21G
- 11:3211:32, 17 February 2011 diff hist 0 N File:GAU WU3.LOG No edit summary current
- 11:3111:31, 17 February 2011 diff hist 0 N File:GAU WU3.mol No edit summary current
- 11:1811:18, 17 February 2011 diff hist +269 Rep:Mod:intersect →Optimisation with HF/3-21G
- 11:1511:15, 17 February 2011 diff hist +40 Rep:Mod:intersect →Optimisation with HF/3-21G
- 11:1111:11, 17 February 2011 diff hist +30 Rep:Mod:intersect →Cope Rearrangement
- 11:1011:10, 17 February 2011 diff hist +186 Rep:Mod:intersect →Optimisation with HF/3-21G
- 11:0011:00, 17 February 2011 diff hist −16 Rep:Mod:intersect →Cope Rearrangement