User contributions for Nf710
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9 March 2018
- 16:5116:51, 9 March 2018 diff hist +170 Rep:Mod:ZZY15 TS →Exercise 3: Diels-Alder vs Cheletropic
- 16:4816:48, 9 March 2018 diff hist +272 Rep:Mod:ZZY15 TS →Exercise 3: Diels-Alder vs Cheletropic
- 16:4316:43, 9 March 2018 diff hist +168 Rep:Mod:ZZY15 TS →Reaction Barriers and Reaction Energies
- 16:0216:02, 9 March 2018 diff hist +281 Rep:Mod:ZZY15 TS →Introduction
- 11:0511:05, 9 March 2018 diff hist +404 Rep:Transition States and Reactivity Exercise2 ZWL115 →Kinetic and Thermodynamic Products
- 11:0011:00, 9 March 2018 diff hist +140 Rep:Transition States and Reactivity Exercise2 ZWL115 →MO diagrams for the formation of the Cyclohexadienediene/1,3-Dioxole transition states
- 10:5810:58, 9 March 2018 diff hist +493 Rep:Transition States and Reactivity ZWL115 →Quantum Chemical methods used
- 10:4610:46, 9 March 2018 diff hist +449 Rep:Mod:cej15 Transition States →Log File Uploads
- 10:2410:24, 9 March 2018 diff hist +217 Rep:Mod:cej15 Transition States →Potential Energy Surface
8 March 2018
- 11:3311:33, 8 March 2018 diff hist +271 Rep:Dy815 →Exercise 3
- 11:2811:28, 8 March 2018 diff hist −395 Rep:Dy815 →Molecular orbital at transition states for the endo and exo reaction
- 11:0211:02, 8 March 2018 diff hist +765 Rep:Dy815 →Reaction energy analysis
- 09:4409:44, 8 March 2018 diff hist +234 Rep:Dy815 →Exercise 1
- 09:4209:42, 8 March 2018 diff hist +94 Rep:Dy815 →Computational Method
- 09:4109:41, 8 March 2018 diff hist +294 Rep:Dy815 →Computational Method
- 09:3809:38, 8 March 2018 diff hist +242 Rep:Dy815 →Transition State
- 09:3409:34, 8 March 2018 diff hist +268 Rep:Mod:ha3915TS →LOG Files
- 09:3109:31, 8 March 2018 diff hist +246 Rep:Mod:ha3915TS →MO Analysis
- 09:2809:28, 8 March 2018 diff hist +265 Rep:Mod:ha3915TS →Exercise 1: Reaction of Butadiene with Ethylene
- 09:2109:21, 8 March 2018 diff hist +465 Rep:Mod:ha3915TS →Potential Energy Surface
7 March 2018
- 22:3922:39, 7 March 2018 diff hist +314 Rep:Mod:tyy15 y3TS →Exercise 3
- 22:3622:36, 7 March 2018 diff hist +199 Rep:Mod:tyy15 y3TS →Activation and Reaction Energies
- 22:3222:32, 7 March 2018 diff hist +950 Rep:Mod:tyy15 y3TS →Introduction
- 22:1622:16, 7 March 2018 diff hist +334 Rep:LH3115TSS →Files
- 22:1222:12, 7 March 2018 diff hist +212 Rep:LH3115TSS →MO Diagrams
- 22:0322:03, 7 March 2018 diff hist +484 Rep:LH3115TSS →Introduction
- 21:4621:46, 7 March 2018 diff hist +291 Rep:TSvl915 →Files
- 21:4321:43, 7 March 2018 diff hist +270 Rep:TSvl915 →B3Lyp/6-31G(d) optimised MOs of the transition states
- 18:3318:33, 7 March 2018 diff hist +229 Rep:TSvl915 →Exerciese 1: Diels Alder Reaction between Ethene and Butadiene
- 18:3018:30, 7 March 2018 diff hist +541 Rep:TSvl915 →Introduction
- 11:4411:44, 7 March 2018 diff hist +326 Rep:YZ20215TS →Files
- 11:4111:41, 7 March 2018 diff hist +134 Rep:YZ20215TS →Energy analysis
- 11:3911:39, 7 March 2018 diff hist +304 Rep:YZ20215TS →Computational Methods
- 11:3511:35, 7 March 2018 diff hist +190 Rep:YZ20215TS →Computational Methods
6 March 2018
- 18:2118:21, 6 March 2018 diff hist +380 Rep:Transition States and Reactivity - SR2815 →Exercise 2
- 18:1818:18, 6 March 2018 diff hist +218 Rep:Transition States and Reactivity - SR2815 →Exercise 2
- 11:1311:13, 6 March 2018 diff hist +304 Rep:Transition States and Reactivity - SR2815 →Introduction
- 11:1011:10, 6 March 2018 diff hist +250 Rep:Transition States and Reactivity - SR2815 →Introduction
- 11:0511:05, 6 March 2018 diff hist +395 Rep:Y3AS6115 →LOG files
- 10:5610:56, 6 March 2018 diff hist +261 Rep:Y3AS6115 →MOs
- 10:5210:52, 6 March 2018 diff hist +205 Rep:Y3AS6115 →Introduction
- 10:4210:42, 6 March 2018 diff hist +285 Rep:Y3AS6115 →Introduction
- 09:4109:41, 6 March 2018 diff hist +337 Rep:JJR115 TS →Log Files for exercise 2
- 09:3709:37, 6 March 2018 diff hist +135 Rep:JJR115 TS →Thermochemistry and Orbital Interaction Analysis
- 09:3209:32, 6 March 2018 diff hist +196 Rep:JJR115 TS →Introduction on Computational Methods
- 09:2909:29, 6 March 2018 diff hist +270 Rep:JJR115 TS →Minima and Transition States
- 09:2709:27, 6 March 2018 diff hist +117 Rep:JJR115 TS →Minima and Transition States
- 09:2109:21, 6 March 2018 diff hist +316 Rep:Mpg15TSReport →Additional LOG Files
- 09:1909:19, 6 March 2018 diff hist +466 Rep:Mpg15TSReport →Thermochemistry
- 09:0909:09, 6 March 2018 diff hist +211 Rep:Mpg15TSReport →Computational Methods