User contributions for Tc1411

30 October 2013

• 20:3620:36, 30 October 2013 diff hist +601 Rep:Mod:phys1411 →ACTIVATION ENERGIES FOR THE REACTION
• 20:2620:26, 30 October 2013 diff hist −1 Rep:Mod:phys1411 →ACTIVATION ENERGIES FOR THE REACTION
• 20:2320:23, 30 October 2013 diff hist 0 N File:Tc1411boatnumbered.PNG No edit summary current
• 20:2020:20, 30 October 2013 diff hist −8 Rep:Mod:phys1411 →ACTIVATION ENERGIES FOR THE REACTION
• 20:1920:19, 30 October 2013 diff hist +658 Rep:Mod:phys1411 →ACTIVATION ENERGIES FOR THE REACTION
• 20:1720:17, 30 October 2013 diff hist +203 Rep:Mod:phys1411 →ACTIVATION ENERGIES FOR THE REACTION
• 19:5219:52, 30 October 2013 diff hist +89 Rep:Mod:phys1411 →IRC Method [Boat Transition Structure]
• 19:4919:49, 30 October 2013 diff hist +14 Rep:Mod:phys1411 →IRC Method [Boat Transition Structure]
• 19:4619:46, 30 October 2013 diff hist −39 Rep:Mod:phys1411 →IRC Method [Chair Transition Structure]
• 19:4619:46, 30 October 2013 diff hist +89 Rep:Mod:phys1411 →IRC Method [Chair Transition Structure]
• 19:4419:44, 30 October 2013 diff hist +29 Rep:Mod:phys1411 →IRC Method [Boat Transition Structure]
• 19:4319:43, 30 October 2013 diff hist +67 Rep:Mod:phys1411 →IRC Method [Boat Transition Structure]
• 19:4319:43, 30 October 2013 diff hist 0 Rep:Mod:phys1411 →IRC Method [Boat Transition Structure]
• 19:4219:42, 30 October 2013 diff hist −41 Rep:Mod:phys1411 →IRC Method [Boat Transition Structure]
• 19:4219:42, 30 October 2013 diff hist 0 N File:Tc1411boatirc.PNG No edit summary current
• 19:4219:42, 30 October 2013 diff hist 0 N File:Tc1411boat irc opt.log No edit summary current
• 19:4219:42, 30 October 2013 diff hist 0 N File:TC1411BOAT IRC.LOG No edit summary current
• 19:3919:39, 30 October 2013 diff hist +13 Rep:Mod:phys1411 →IRC Method [Boat Transition Structure]
• 19:3819:38, 30 October 2013 diff hist +4 Rep:Mod:phys1411 →IRC Method [Boat Transition Structure]
• 19:3519:35, 30 October 2013 diff hist +3,020 Rep:Mod:phys1411 →Intrinsic Reaction Coordinate
• 19:3419:34, 30 October 2013 diff hist +72 Rep:Mod:phys1411 →IRC Method [Chair Transition Structure]
• 19:3319:33, 30 October 2013 diff hist +2 Rep:Mod:phys1411 →IRC Method [Chair Transition Structure]
• 19:3219:32, 30 October 2013 diff hist −113 Rep:Mod:phys1411 →Intrinsic Reaction Coordinate
• 17:3017:30, 30 October 2013 diff hist −1 Rep:Mod:phys1411 →Optimisation of 1,5-hexadiene [anti2] Using a Higher Level Basis Set
• 17:2917:29, 30 October 2013 diff hist −3 Rep:Mod:phys1411 →ACTIVATION ENERGIES FOR THE REACTION
• 17:2817:28, 30 October 2013 diff hist +1 Rep:Mod:phys1411 →Optimisation of 1,5-hexadiene [anti2] Using a Higher Level Basis Set
• 17:2717:27, 30 October 2013 diff hist 0 N File:Tc1411hexadienenumbered.PNG No edit summary current
• 17:2717:27, 30 October 2013 diff hist 0 N File:Tc1411chairnumbered.PNG No edit summary current
• 17:1617:16, 30 October 2013 diff hist +117 Rep:Mod:phys1411 →ACTIVATION ENERGIES FOR THE REACTION
• 17:1517:15, 30 October 2013 diff hist +961 Rep:Mod:phys1411 →ACTIVATION ENERGIES FOR THE REACTION
• 17:1017:10, 30 October 2013 diff hist +408 Rep:Mod:phys1411 →ACTIVATION ENERGIES FOR THE REACTION
• 17:0617:06, 30 October 2013 diff hist −941 Rep:Mod:phys1411 →ACTIVATION ENERGIES FOR THE REACTION
• 17:0517:05, 30 October 2013 diff hist +8 Rep:Mod:phys1411 →Intrinsic Reaction Coordinate
• 17:0417:04, 30 October 2013 diff hist −29 Rep:Mod:phys1411 →Intrinsic Reaction Coordinate
• 17:0217:02, 30 October 2013 diff hist +401 Rep:Mod:phys1411 →Intrinsic Reaction Coordinate
• 17:0017:00, 30 October 2013 diff hist +125 Rep:Mod:phys1411 →Intrinsic Reaction Coordinate
• 16:5316:53, 30 October 2013 diff hist −36 Rep:Mod:phys1411 →Intrinsic Reaction Coordinate
• 16:5016:50, 30 October 2013 diff hist −542 Rep:Mod:phys1411 →Intrinsic Reaction Coordinate
• 16:4916:49, 30 October 2013 diff hist +509 Rep:Mod:phys1411 →Intrinsic Reaction Coordinate
• 15:4915:49, 30 October 2013 diff hist −305 Rep:Mod:phys1411 →Optimising the Boat Transition State via the QST2 Method
• 15:4515:45, 30 October 2013 diff hist −115 Rep:Mod:phys1411 →Optimising the Boat Transition State via the QST2 Method
• 15:3915:39, 30 October 2013 diff hist +1 Rep:Mod:phys1411 →Optimising the Boat Transition State via the QST2 Method
• 15:3715:37, 30 October 2013 diff hist +137 Rep:Mod:phys1411 →Optimising the Boat Transition State via the QST2 Method

29 October 2013

• 23:0823:08, 29 October 2013 diff hist +1 Rep:Mod:phys1411 →Optimising the Boat Transition State via the QST2 Method
• 23:0723:07, 29 October 2013 diff hist −22 Rep:Mod:phys1411 →Optimisation of the Chair Transition State by Computing the Hessian
• 23:0623:06, 29 October 2013 diff hist −531 Rep:Mod:phys1411 →Optimising the Boat Transition State via the QST3 Method
• 23:0523:05, 29 October 2013 diff hist +58 Rep:Mod:phys1411 →Optimising the Boat Transition State via the QST2 Method
• 23:0423:04, 29 October 2013 diff hist −503 Rep:Mod:phys1411 →Optimising the Boat Transition State via the QST2 Method
• 22:5922:59, 29 October 2013 diff hist +63 Rep:Mod:phys1411 →Optimising the Boat Transition State via the QST2 Method
• 22:5622:56, 29 October 2013 diff hist +57 Rep:Mod:phys1411 →Optimising the Boat Transition State via the QST2 Method