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User contributions for Nf710

Results for Nf710 talk block log uploads logs

A user with 1,729 edits. Account created on 19 February 2013.

09:0709:07, 6 March 2018 diff hist +333 Rep:Mpg15TSReport →Potential Energy Surfaces

23:3123:31, 5 March 2018 diff hist +304 Rep:Mod:kk3015TS →LOG Files
23:2923:29, 5 March 2018 diff hist +291 Rep:Mod:kk3015TS →Table 4: Molecular Orbitals of the Exo and Endo Transition States
23:1623:16, 5 March 2018 diff hist +429 Rep:Mod:kk3015TS →Calculation and Computational methods
19:3719:37, 5 March 2018 diff hist +267 Rep:MOD:ST3515 TS3 →Exercise 3: SO2 and o-Xylylene
19:3319:33, 5 March 2018 diff hist +175 Rep:MOD:ST3515 TS3 →Reaction Energies and Reaction Barriers
19:3119:31, 5 March 2018 diff hist +499 Rep:MOD:ST3515 TS3 →Introduction
19:1719:17, 5 March 2018 diff hist +113 Rep:Mod:fp1615 Transition States and Reactivity →Reaction of Xylylene with SO2: Diels-Alder vs Cheletropic
19:1419:14, 5 March 2018 diff hist +159 Rep:Mod:fp1615 Transition States and Reactivity →Thermochemistry Analysis
19:1119:11, 5 March 2018 diff hist +198 Rep:Mod:fp1615 Transition States and Reactivity →Orbital Description of the Diels-Alder Reaction between Cyclohexadiene and 1,3-Dioxole
19:0519:05, 5 March 2018 diff hist +210 Rep:Mod:fp1615 Transition States and Reactivity →Methods
19:0119:01, 5 March 2018 diff hist +315 Rep:Mod:fp1615 Transition States and Reactivity →Methods

08:4608:46, 23 February 2018 diff hist +10 Rep:SJ1815 Transition States No edit summary
08:4608:46, 23 February 2018 diff hist +87 Rep:SJ1815 Transition States No edit summary
08:4308:43, 23 February 2018 diff hist +532 Rep:SJ1815 Transition States No edit summary
08:3608:36, 23 February 2018 diff hist +517 Rep:SJ1815 Transition States No edit summary
08:3108:31, 23 February 2018 diff hist +171 Rep:SJ1815 Transition States No edit summary
08:2908:29, 23 February 2018 diff hist +196 Rep:SJ1815 Transition States No edit summary
08:2608:26, 23 February 2018 diff hist +48 Rep:SJ1815 Transition States No edit summary
08:2508:25, 23 February 2018 diff hist +629 Rep:SJ1815 Transition States No edit summary

23:5423:54, 22 February 2018 diff hist +364 Rep:JHT114 Y3C TransitionStates ex2 →Exercise 3, Further Work and Exercise 1
23:5123:51, 22 February 2018 diff hist +200 Rep:JHT114 Y3C TransitionStates ex2 →Kinetic and Thermodynamic Analysis
23:4923:49, 22 February 2018 diff hist +295 Rep:JHT114 Y3C TransitionStates ex2 →Endo Pathway
23:4323:43, 22 February 2018 diff hist +476 Rep:JHT114 Y3C TransitionStates →Thermodynamics and Kinetics
23:3823:38, 22 February 2018 diff hist +331 Rep:JHT114 Y3C TransitionStates →Potential Energy Surfaces and Stationary Points
23:2123:21, 22 February 2018 diff hist +311 Rep:TFI15.TS →Exercise 3: Cycloaddition of o-xylylene and SO2
23:1823:18, 22 February 2018 diff hist +169 Rep:TFI15.TS →2.4. Sum of Electrical and Thermal Free Energies
23:1723:17, 22 February 2018 diff hist +382 Rep:TFI15.TS →2.3. MO Diagram of EXO Transition State VS. ENDO Transition State
23:1023:10, 22 February 2018 diff hist +180 Rep:TFI15.TS →Introduction
23:0723:07, 22 February 2018 diff hist +271 Rep:TFI15.TS →Introduction
22:5922:59, 22 February 2018 diff hist +391 Rep:Mod:cc5115TS →Thermochemistry
22:5622:56, 22 February 2018 diff hist +237 Rep:Mod:cc5115TS →Analysis of Molecular Orbitals
22:5022:50, 22 February 2018 diff hist +463 Rep:Mod:cc5115TS →Introduction
22:3822:38, 22 February 2018 diff hist +277 Rep:Js5515transitionstates →Exercise 3: Diels-Alder vs Cheletropic
22:3722:37, 22 February 2018 diff hist +109 Rep:Js5515transitionstates →Reaction Calculations
22:3222:32, 22 February 2018 diff hist +249 Rep:Js5515transitionstates →Reaction Calculations
22:2422:24, 22 February 2018 diff hist +267 Rep:Js5515transitionstates →Exercise 1: Reaction of Butadiene with Ethene
22:2122:21, 22 February 2018 diff hist +329 Rep:Js5515transitionstates →Calculation methods used in the lab
21:5321:53, 22 February 2018 diff hist +232 Rep:Mod:TSams1015 →Supporting Log Files
21:4821:48, 22 February 2018 diff hist +108 Rep:Mod:TSams1015 →Reaction Profile and Energy Calculations
21:4421:44, 22 February 2018 diff hist +267 Rep:Mod:TSams1015 →Density Functional Theory (DFT) - B3LYP Optimisations
21:4021:40, 22 February 2018 diff hist +416 Rep:Mod:TSams1015 →Computational Methods
21:3321:33, 22 February 2018 diff hist +219 Rep:Mod:TSams1015 →Potential Energy Surfaces - Minima
21:2921:29, 22 February 2018 diff hist +168 Rep:Mod:TSams1015 →Basis sets
19:5319:53, 22 February 2018 diff hist +413 Rep:Mod:wcc14geeTS →Exercise 3: Diels-Alder vs Cheletropic
19:5019:50, 22 February 2018 diff hist +189 Rep:Mod:wcc14geeTS →Activation and Reaction Energies Analysis
19:4419:44, 22 February 2018 diff hist +234 Rep:Mod:wcc14geeTS →Exercise 1: Reaction of Butadiene with Ethylene
19:3719:37, 22 February 2018 diff hist +277 Rep:Mod:fht14ts →Exercise 3: Reactions of SO2 and o-xylylene
19:3019:30, 22 February 2018 diff hist +131 Rep:Mod:fht14ts →Discussion of Molecular Orbitals
18:5618:56, 22 February 2018 diff hist +308 Rep:Mod:fht14ts →PM6 and DFT-B3LYP Methods

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