User contributions for Jg1009

22 March 2012

• 23:0923:09, 22 March 2012 diff hist 0 Rep:Mod:jgh003 →Activation energy
• 23:0923:09, 22 March 2012 diff hist +11 Rep:Mod:jgh003 →Activation energy
• 22:5222:52, 22 March 2012 diff hist +13 Rep:Mod:jgh003 →Activation energy
• 22:5122:51, 22 March 2012 diff hist +11 Rep:Mod:jgh003 →Activation energy
• 22:4522:45, 22 March 2012 diff hist +11 Rep:Mod:jgh003 →Activation energy
• 22:4422:44, 22 March 2012 diff hist +22 Rep:Mod:jgh003 →Activation energy
• 22:4222:42, 22 March 2012 diff hist +33 Rep:Mod:jgh003 →Activation energy
• 22:3822:38, 22 March 2012 diff hist −1 Rep:Mod:jgh003 →Computing the Hessian Matrix
• 22:3722:37, 22 March 2012 diff hist +6 Rep:Mod:jgh003 →Activation energy
• 22:3622:36, 22 March 2012 diff hist +171 Rep:Mod:jgh003 →Activation energy
• 22:3022:30, 22 March 2012 diff hist +2 Rep:Mod:jgh003 →Activation energy
• 22:2922:29, 22 March 2012 diff hist +723 Rep:Mod:jgh003 →Activation energy
• 22:1922:19, 22 March 2012 diff hist +43 Rep:Mod:jgh003 →Activation energy
• 22:0922:09, 22 March 2012 diff hist +8 Rep:Mod:jgh003 →Activation energy
• 22:0422:04, 22 March 2012 diff hist +245 Rep:Mod:jgh003 →Mechanism via the Boat pathway
• 22:0222:02, 22 March 2012 diff hist −41 Rep:Mod:jgh003 →Mechanism via the Boat pathway
• 22:0222:02, 22 March 2012 diff hist 0 Rep:Mod:jgh003 →Mechanism via the Boat pathway
• 22:0122:01, 22 March 2012 diff hist −14 Rep:Mod:jgh003 →Optimization of Reactants and Products
• 22:0022:00, 22 March 2012 diff hist 0 Rep:Mod:jgh003 →Optimization of Reactants and Products
• 21:5821:58, 22 March 2012 diff hist +1 Rep:Mod:jgh003 →Mechanism via the Boat pathway
• 21:5521:55, 22 March 2012 diff hist −122 Rep:Mod:jgh003 →Mechanism via the Boat pathway
• 21:5121:51, 22 March 2012 diff hist 0 Rep:Mod:jgh003 →Mechanism via the Boat pathway
• 21:5121:51, 22 March 2012 diff hist +180 Rep:Mod:jgh003 →Mechanism via the Boat pathway
• 21:5021:50, 22 March 2012 diff hist +49 Rep:Mod:jgh003 →Mechanism via the Boat pathway
• 21:4921:49, 22 March 2012 diff hist 0 N File:IRC boat RMS gradient.PNG No edit summary current
• 21:4921:49, 22 March 2012 diff hist 0 N File:IRC boat energy.PNG No edit summary current
• 21:4321:43, 22 March 2012 diff hist +111 Rep:Mod:jgh003 →Mechanism via the Chair pathway
• 21:3721:37, 22 March 2012 diff hist +63 Rep:Mod:jgh003 →Mechanism via the Chair pathway
• 21:3421:34, 22 March 2012 diff hist +6 Rep:Mod:jgh003 →Mechanism via the Chair pathway
• 21:3321:33, 22 March 2012 diff hist +56 Rep:Mod:jgh003 →Intrinsic Reaction Coordinate
• 21:3121:31, 22 March 2012 diff hist −8 Rep:Mod:jgh003 →Optimization of the boat transition structure
• 21:3021:30, 22 March 2012 diff hist +140 Rep:Mod:jgh003 →Optimization of the boat transition structure
• 21:2721:27, 22 March 2012 diff hist +18 Rep:Mod:jgh003 →Optimization of the boat transition structure
• 21:2521:25, 22 March 2012 diff hist 0 Rep:Mod:jgh003 →Comparison of the results from the two methods
• 21:2421:24, 22 March 2012 diff hist +1 Rep:Mod:jgh003 →Optimization of the boat transition structure
• 21:2321:23, 22 March 2012 diff hist −2 Rep:Mod:jgh003 →Using the frozen coordinate method
• 21:2221:22, 22 March 2012 diff hist −3 Rep:Mod:jgh003 →Using the frozen coordinate method
• 21:2021:20, 22 March 2012 diff hist +8 Rep:Mod:jgh003 →Computing the Hessian Matrix
• 21:1921:19, 22 March 2012 diff hist −10 Rep:Mod:jgh003 →Optimization of the chair structure
• 21:1621:16, 22 March 2012 diff hist −19 Rep:Mod:jgh003 →Optimizing the "Chair" and "Boat" Transition Structures
• 21:1421:14, 22 March 2012 diff hist −15 Rep:Mod:jgh003 →Optimization of Reactants and Products
• 21:1321:13, 22 March 2012 diff hist +44 Rep:Mod:jgh003 →Optimization of Reactants and Products
• 21:1121:11, 22 March 2012 diff hist +12 Rep:Mod:jgh003 →Optimization of Reactants and Products
• 21:1021:10, 22 March 2012 diff hist −207 Rep:Mod:jgh003 →Optimization of Reactants and Products
• 21:0421:04, 22 March 2012 diff hist +44 Rep:Mod:jgh003 →Optimization of Reactants and Products
• 21:0121:01, 22 March 2012 diff hist +1 Rep:Mod:jgh003 →Optimization of Reactants and Products
• 21:0021:00, 22 March 2012 diff hist +5 Rep:Mod:jgh003 →Optimization of Reactants and Products
• 20:5820:58, 22 March 2012 diff hist +67 Rep:Mod:jgh003 →Optimization of Reactants and Products
• 20:5720:57, 22 March 2012 diff hist +6 Rep:Mod:jgh003 →Optimization of Reactants and Products
• 20:5520:55, 22 March 2012 diff hist −23 Rep:Mod:jgh003 →Optimization of Reactants and Products