User contributions for Nf710
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22 February 2018
- 18:2218:22, 22 February 2018 diff hist +219 Rep:Mod:fht14ts →Potential Energy Surfaces
- 18:1218:12, 22 February 2018 diff hist +321 Rep:Mod:TS jx3515 →Exercise 3: Diels-Alder vs Cheletropic
- 18:1018:10, 22 February 2018 diff hist +468 Rep:Mod:TS jx3515 →2. Selectivity of endo and exo products
- 18:0518:05, 22 February 2018 diff hist +206 Rep:Mod:TS jx3515 →The Minimum point and the Transition State
- 18:0218:02, 22 February 2018 diff hist +409 Rep:Mod:TS jx3515 →The Minimum point and the Transition State
- 17:5817:58, 22 February 2018 diff hist +113 Rep:Mod:TS jx3515 →The Minimum point and the Transition State
- 17:5117:51, 22 February 2018 diff hist +198 Rep:Mod:jh6415 TS →Log Files
- 17:4517:45, 22 February 2018 diff hist +183 Rep:Mod:jh6415 TS →HOMO & LUMO of Reactants and Endo/Exo Transition States
- 17:4317:43, 22 February 2018 diff hist +148 Rep:Mod:jh6415 TS →MO Diagram for the Formation of the Endo/Exo Transition States
- 17:3217:32, 22 February 2018 diff hist +216 Rep:Mod:jh6415 TS →Exercise 1: Reaction of Butadiene with Ethylene
- 17:3117:31, 22 February 2018 diff hist +342 Rep:Mod:jh6415 TS →Introduction
21 February 2018
- 23:1323:13, 21 February 2018 diff hist +165 Rep:TS:mhardst →Kinetic and Thermodynamic Analysis
- 23:1123:11, 21 February 2018 diff hist +303 Rep:TS:mhardst →Exercise 3: Diels-Alder vs. Cheletropic
- 23:0923:09, 21 February 2018 diff hist +118 Rep:TS:mhardst →Kinetic and Thermodynamic Analysis
- 23:0823:08, 21 February 2018 diff hist +142 Rep:TS:mhardst →Secondary Orbital Interactions
- 23:0623:06, 21 February 2018 diff hist +238 Rep:TS:mhardst →Kinetic and Thermodynamic Analysis
- 22:5822:58, 21 February 2018 diff hist +441 Rep:TS:mhardst →Comparison
- 22:5422:54, 21 February 2018 diff hist +248 Rep:TS:mhardst →Distinguishing Minima and Transition States
- 22:5222:52, 21 February 2018 diff hist +267 Rep:TS:mhardst →Molecular Potential Energy Surfaces
- 22:4122:41, 21 February 2018 diff hist +214 Rep:Xlt15 Ex2 →Log File for PM6 Level and IRC Calculation
- 22:3922:39, 21 February 2018 diff hist +178 Rep:Xlt15 Ex2 →Secondary Orbital Interaction or Sterics J. Clayden, N. Greeves, S. Warren, P. Wothers, Organic Chemistry, Oxford University Press Inc., New York, 2001.
- 22:3822:38, 21 February 2018 diff hist +178 Rep:Xlt15 Ex2 →Thermochemistry
- 22:2722:27, 21 February 2018 diff hist +322 Rep:Xlt15 TS →Introduction
- 22:2222:22, 21 February 2018 diff hist +292 Rep:Pth115TS →Exercise 3
- 22:1922:19, 21 February 2018 diff hist +279 Rep:Pth115TS →Electron Demand
- 22:1622:16, 21 February 2018 diff hist +228 Rep:Pth115TS →Exercise 1
- 22:1422:14, 21 February 2018 diff hist +164 Rep:Pth115TS →PM6
- 22:0822:08, 21 February 2018 diff hist +406 Rep:Pth115TS →Computations on Gaussian
- 21:5921:59, 21 February 2018 diff hist +273 Rep:Ac4515 TS →Exercise 3
- 21:5621:56, 21 February 2018 diff hist +169 Rep:Ac4515 TS →Exercise 1
- 21:3821:38, 21 February 2018 diff hist +202 Rep:Ac4515 TS →Potential energy surfaces: Transition states and minima
- 21:0921:09, 21 February 2018 diff hist +302 Rep:TS(wl5015) →Exercise 3: Diels-Alder vs Cheletropic
- 21:0721:07, 21 February 2018 diff hist −29 Rep:TS(wl5015) →MO analysis
- 21:0621:06, 21 February 2018 diff hist +191 Rep:TS(wl5015) →MO analysis
- 21:0321:03, 21 February 2018 diff hist +179 Rep:TS(wl5015) →Exercise 1: Reaction of Butadiene with Ethylene
- 10:3010:30, 21 February 2018 diff hist +207 Rep:Mod:als15TS →Exercise 3: Xylylene and SO2
- 10:2310:23, 21 February 2018 diff hist +285 Rep:Mod:als15TS →MO Diagram
- 10:1810:18, 21 February 2018 diff hist +48 Rep:Mod:als15TS →PM6 and B3LYP [1]
- 10:1710:17, 21 February 2018 diff hist +227 Rep:Mod:als15TS →Exercise 1: Reaction of Butadiene with Ethylene
- 10:1110:11, 21 February 2018 diff hist +131 Rep:Mod:als15TS →Vibrational FrequenciesMcDouall, J. (2013). Computational Quantum Chemistry: Molecular Structure and Properties in Silico. p. 1-16. Royal Society of Chemistry.
- 10:0510:05, 21 February 2018 diff hist +269 Rep:Modtssss14 →Exercise 3 O-Xylylene + SO2
- 09:5809:58, 21 February 2018 diff hist +245 Rep:Modtssss14 →Products
- 09:5309:53, 21 February 2018 diff hist +300 Rep:Modtssss14 →Method
- 09:4009:40, 21 February 2018 diff hist +151 Rep:Modtssss14 →Method
9 February 2018
- 17:3117:31, 9 February 2018 diff hist +285 Rep:Mod:ts wjb115 →Exercise 3
- 17:2717:27, 9 February 2018 diff hist +147 Rep:Mod:ts wjb115 →MO analysis
- 17:1917:19, 9 February 2018 diff hist +159 Rep:Mod:ts wjb115 →Introduction
- 17:1617:16, 9 February 2018 diff hist +269 Rep:Mod:ts wjb115 →Introduction
- 16:5216:52, 9 February 2018 diff hist +132 Rep:Mod:HB2515Transitionstates →Molecular orbital analysis
- 16:4116:41, 9 February 2018 diff hist +528 Rep:Mod:HB2515Transitionstates →Introduction: