User contributions for Ly308
14 December 2010
- 23:0623:06, 14 December 2010 diff hist +132 Rep:Mod:mariuspontmercy →Optimisation of ''Boat'' Product
- 23:0623:06, 14 December 2010 diff hist 0 N File:YL Boat.mol No edit summary current
- 23:0323:03, 14 December 2010 diff hist 0 Rep:Mod:mariuspontmercy →Intrinsic Reaction Coordinate (IRC)
- 23:0323:03, 14 December 2010 diff hist 0 Rep:Mod:mariuspontmercy →Intrinsic Reaction Coordinate (IRC)
- 23:0223:02, 14 December 2010 diff hist +44 Rep:Mod:mariuspontmercy →Intrinsic Reaction Coordinate (IRC)
- 23:0223:02, 14 December 2010 diff hist 0 N File:Chair IRC minimum structure.jpg No edit summary current
- 23:0123:01, 14 December 2010 diff hist +37 Rep:Mod:mariuspontmercy →Intrinsic Reaction Coordinate (IRC)
- 23:0123:01, 14 December 2010 diff hist 0 N File:Chair IRC grad graph.jpg No edit summary current
- 23:0123:01, 14 December 2010 diff hist +39 Rep:Mod:mariuspontmercy →Intrinsic Reaction Coordinate (IRC)
- 23:0123:01, 14 December 2010 diff hist 0 N File:Chair IRC energy graph.jpg No edit summary current
- 23:0023:00, 14 December 2010 diff hist 0 Rep:Mod:mariuspontmercy →Intrinsic Reaction Coordinate (IRC)
- 23:0023:00, 14 December 2010 diff hist +41 Rep:Mod:mariuspontmercy →Intrinsic Reaction Coordinate (IRC)
- 23:0023:00, 14 December 2010 diff hist 0 N File:Chair IRC (ONCE) min str.jpg No edit summary current
- 22:5922:59, 14 December 2010 diff hist +44 Rep:Mod:mariuspontmercy →Intrinsic Reaction Coordinate (IRC)
- 22:5822:58, 14 December 2010 diff hist 0 N File:Chair IRC (ONCE) grad graph.jpg No edit summary current
- 22:5822:58, 14 December 2010 diff hist 0 Rep:Mod:mariuspontmercy →Intrinsic Reaction Coordinate (IRC)
- 22:5822:58, 14 December 2010 diff hist +46 Rep:Mod:mariuspontmercy →Intrinsic Reaction Coordinate (IRC)
- 22:5722:57, 14 December 2010 diff hist 0 N File:Chair IRC (ONCE) energy graph.jpg No edit summary current
- 22:5622:56, 14 December 2010 diff hist +151 Rep:Mod:mariuspontmercy →Optimisation of Chair Product
- 22:5622:56, 14 December 2010 diff hist 0 N File:Chair TSBerny (mod red).mol No edit summary current
- 22:5622:56, 14 December 2010 diff hist +6 Rep:Mod:mariuspontmercy →Optimisation of Chair Product
- 22:5422:54, 14 December 2010 diff hist +144 Rep:Mod:mariuspontmercy →Optimisation of Chair Product
- 22:5322:53, 14 December 2010 diff hist 0 N File:Chair ts TSBerny.mol No edit summary current
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13 December 2010
- 11:4311:43, 13 December 2010 diff hist +8 Rep:Mod:mariuspontmercy →Geometries
- 11:4211:42, 13 December 2010 diff hist +1 Rep:Mod:mariuspontmercy →Geometries
- 11:3611:36, 13 December 2010 diff hist +606 Rep:Mod:mariuspontmercy →Conclusions
- 11:3511:35, 13 December 2010 diff hist +1,152 Rep:Mod:mariuspontmercy →Geometries
- 11:3411:34, 13 December 2010 diff hist +2,417 Rep:Mod:mariuspontmercy →Ex 3: Regioselectivity
- 11:3111:31, 13 December 2010 diff hist +2 Rep:Mod:mariuspontmercy →Intrinsic Reaction Coordinate (IRC)
- 11:3111:31, 13 December 2010 diff hist +2 Rep:Mod:mariuspontmercy →Optimisation of Chair Product
- 11:3011:30, 13 December 2010 diff hist +2 Rep:Mod:mariuspontmercy →Thermochemistry of ''Anti-2'': HF/3-21G & DFT/B3LYP/6-31G(d)
- 11:3011:30, 13 December 2010 diff hist +1,033 Rep:Mod:mariuspontmercy →Activation Energy
- 11:2911:29, 13 December 2010 diff hist +644 Rep:Mod:mariuspontmercy →Vibrational Frequency
- 11:2811:28, 13 December 2010 diff hist +12 Rep:Mod:mariuspontmercy →Molecular Orbitals
- 11:2811:28, 13 December 2010 diff hist +1,143 Rep:Mod:mariuspontmercy →Molecular Orbitals
- 11:2311:23, 13 December 2010 diff hist +33 Rep:Mod:mariuspontmercy →Optimisation/Geometry
- 11:2111:21, 13 December 2010 diff hist +1,122 Rep:Mod:mariuspontmercy →Optimisation/Geometry
- 11:1611:16, 13 December 2010 diff hist +3 Rep:Mod:mariuspontmercy →Optimisation/Geometry
- 11:1511:15, 13 December 2010 diff hist −3 Rep:Mod:mariuspontmercy →Optimisation/Geometry
- 11:1511:15, 13 December 2010 diff hist +701 Rep:Mod:mariuspontmercy →Ex 2: Transition State Geometries
- 11:1411:14, 13 December 2010 diff hist +11 Rep:Mod:mariuspontmercy →Ex 1: HOMO & LUMO of Reactants
- 11:1311:13, 13 December 2010 diff hist +1,001 Rep:Mod:mariuspontmercy →Diels Alder Reaction
- 11:0611:06, 13 December 2010 diff hist +277 Rep:Mod:mariuspontmercy →Diels Alder Reaction
- 11:0111:01, 13 December 2010 diff hist +24 Rep:Mod:mariuspontmercy →Activation Energy
- 11:0011:00, 13 December 2010 diff hist −99 Rep:Mod:mariuspontmercy →Activation Energy
- 11:0011:00, 13 December 2010 diff hist +2 Rep:Mod:mariuspontmercy →Activation Energy
- 10:5910:59, 13 December 2010 diff hist +2,493 Rep:Mod:mariuspontmercy →Activation Energy
- 10:5810:58, 13 December 2010 diff hist +899 Rep:Mod:mariuspontmercy →Optimisation of ''Boat'' Product
- 10:5410:54, 13 December 2010 diff hist +692 Rep:Mod:mariuspontmercy →Intrinsic Reaction Coordinate (IRC)
- 10:5410:54, 13 December 2010 diff hist 0 Rep:Mod:mariuspontmercy →Intrinsic Reaction Coordinate (IRC)