User contributions for Aac211

1 November 2013

• 14:3314:33, 1 November 2013 diff hist +278 Rep:Mod:complabAC93 →Bond Lengths
• 14:0414:04, 1 November 2013 diff hist +51 Rep:Mod:complabAC93 →Comparison of the Different Transition State Structures
• 14:0314:03, 1 November 2013 diff hist −2 Rep:Mod:complabAC93 →Second Optimisation: Using a Higher Basis Set
• 14:0214:02, 1 November 2013 diff hist −4 Rep:Mod:complabAC93 →First Optimisation
• 14:0214:02, 1 November 2013 diff hist +231 Rep:Mod:complabAC93 →References
• 13:5813:58, 1 November 2013 diff hist +240 Rep:Mod:complabAC93 →Comparison of the Different Transition State Structures
• 13:3613:36, 1 November 2013 diff hist −12 Rep:Mod:complabAC93 →Optimisation by Freezing the Coordinates
• 13:3613:36, 1 November 2013 diff hist −16 Rep:Mod:complabAC93 →Optimisation by Freezing the Coordinates
• 13:3413:34, 1 November 2013 diff hist +96 Rep:Mod:complabAC93 →Using the QST3 Method
• 13:3013:30, 1 November 2013 diff hist 0 N File:TS lowest pos freq QST3 alix.gif No edit summary current
• 13:2813:28, 1 November 2013 diff hist 0 N File:TS lowest pos freq QST3 alix0000.gif No edit summary current
• 13:2113:21, 1 November 2013 diff hist +479 Rep:Mod:complabAC93 →Bond Lengths
• 12:0512:05, 1 November 2013 diff hist +217 Rep:Mod:complabAC93 →Bond Lengths
• 11:5311:53, 1 November 2013 diff hist +3 Rep:Mod:complabAC93 →Comparison of the Different Transition State Structures
• 11:5211:52, 1 November 2013 diff hist +205 Rep:Mod:complabAC93 →Comparison of the Different Transition State Structures
• 11:3211:32, 1 November 2013 diff hist +261 Rep:Mod:complabAC93 →References
• 11:2911:29, 1 November 2013 diff hist +6 Rep:Mod:complabAC93 →Comparison of the Different Transition State Structures
• 11:1911:19, 1 November 2013 diff hist −21 Rep:Mod:complabAC93 →Using the QST3 Method
• 11:1811:18, 1 November 2013 diff hist +8 Rep:Mod:complabAC93 →Using the Hessian Method
• 11:1711:17, 1 November 2013 diff hist −4 Rep:Mod:complabAC93 →Optimisation of the Product: Cyclohexene
• 11:1711:17, 1 November 2013 diff hist +8 Rep:Mod:complabAC93 →Optimisation of the Product: Cyclohexene
• 11:1711:17, 1 November 2013 diff hist +4 Rep:Mod:complabAC93 →Optimisation of the Product: Cyclohexene
• 11:1711:17, 1 November 2013 diff hist +4 Rep:Mod:complabAC93 →Optimisation of Ethylene
• 11:1611:16, 1 November 2013 diff hist +4 Rep:Mod:complabAC93 →Optimisation of Ethylene
• 11:1611:16, 1 November 2013 diff hist +4 Rep:Mod:complabAC93 →Optimisation Cis-Butadiene
• 11:1411:14, 1 November 2013 diff hist +146 Rep:Mod:complabAC93 →References
• 10:5510:55, 1 November 2013 diff hist +54 Rep:Mod:complabAC93 →Comparison of the Boat Transition Structures
• 10:5210:52, 1 November 2013 diff hist +137 Rep:Mod:complabAC93 →Comparison of the Chair Transition Structures
• 10:4810:48, 1 November 2013 diff hist +157 Rep:Mod:complabAC93 →Calculation of the Activation Energies
• 10:2210:22, 1 November 2013 diff hist +437 Rep:Mod:complabAC93 →Comparison of the Chair and Boat Structures
• 10:1110:11, 1 November 2013 diff hist +162 Rep:Mod:complabAC93 →Comparison of the Chair and Boat Structures
• 10:0910:09, 1 November 2013 diff hist +188 Rep:Mod:complabAC93 →References
• 10:0610:06, 1 November 2013 diff hist −101 Rep:Mod:complabAC93 →Comparison of the Chair and Boat Structures
• 09:5509:55, 1 November 2013 diff hist +7 Rep:Mod:complabAC93 →Comparison of the Chair Transition Structures
• 09:5309:53, 1 November 2013 diff hist +636 Rep:Mod:complabAC93 →Comparison of the Boat Transition Structures
• 09:4009:40, 1 November 2013 diff hist +122 Rep:Mod:complabAC93 →Comparison of the Chair Transition Structures
• 09:3009:30, 1 November 2013 diff hist +1 Rep:Mod:complabAC93 →Second Optimisation: Using a Higher Basis Set
• 09:2909:29, 1 November 2013 diff hist +1 Rep:Mod:complabAC93 →Comparison of the Chair Transition Structures
• 09:2709:27, 1 November 2013 diff hist +644 Rep:Mod:complabAC93 →Comparison of the Chair Transition Structures
• 08:4408:44, 1 November 2013 diff hist +4 Rep:Mod:complabAC93 →Optimisation of the Chair and Boat Transition States using a higher level of theory
• 08:4008:40, 1 November 2013 diff hist −4 Rep:Mod:complabAC93 →Using the QST3 Method
• 08:4008:40, 1 November 2013 diff hist 0 Rep:Mod:complabAC93 →Using the QST3 Method
• 08:3908:39, 1 November 2013 diff hist +13 Rep:Mod:complabAC93 →Using the QST3 Method
• 08:3908:39, 1 November 2013 diff hist +14 Rep:Mod:complabAC93 →Revisited QST2 Method
• 08:3708:37, 1 November 2013 diff hist +1 Rep:Mod:complabAC93 →Using the QST2 Method
• 08:3608:36, 1 November 2013 diff hist −2 Rep:Mod:complabAC93 →Using the QST3 Method
• 08:3508:35, 1 November 2013 diff hist −5 Rep:Mod:complabAC93 →Using the QST2 Method
• 08:3408:34, 1 November 2013 diff hist +16 Rep:Mod:complabAC93 →Optimisation by Freezing the Coordinates
• 08:3308:33, 1 November 2013 diff hist +20 Rep:Mod:complabAC93 →Optimisation by Freezing the Coordinates
• 08:3208:32, 1 November 2013 diff hist +8 Rep:Mod:complabAC93 →Optimisation by Computing the Hessian