User contributions for Nf710
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28 March 2018
- 17:5217:52, 28 March 2018 diff hist +352 Rep:MOD:TS Yiming Xu →Harmonic Approximation and the Transition State
27 March 2018
- 11:4411:44, 27 March 2018 diff hist +176 Rep:Kh1015TSEx2RD →Exo Product ((3aS,4R,7S,7aS)-3a,4,7,7a-tetrahydro-4,7-ethanobenzo[d][1,3]dioxole).
23 March 2018
- 09:3209:32, 23 March 2018 diff hist +294 Rep:Mod:smw415TS →LOG Files
- 09:3009:30, 23 March 2018 diff hist +123 Rep:Mod:smw415TS →Thermochemistry
- 09:2809:28, 23 March 2018 diff hist +254 Rep:Mod:smw415TS →Introduction
- 09:2609:26, 23 March 2018 diff hist +307 Rep:Mod:smw415TS →Introduction
- 09:2209:22, 23 March 2018 diff hist +314 Rep:Mod:hnt14Y3 →Question 3ː Diels-Alder vs Chelotropic
- 09:1909:19, 23 March 2018 diff hist +255 Rep:Mod:hnt14Y3 →Question 1ː Reaction of Butadiene with Ethylene
- 09:1409:14, 23 March 2018 diff hist +301 Rep:FD915 TRANSITION →Exercise 3
- 09:1209:12, 23 March 2018 diff hist +285 Rep:FD915 TRANSITION →Inverse and Normal Electron Demand Diels-Alder Reactions
- 09:0909:09, 23 March 2018 diff hist +325 Rep:FD915 TRANSITION →Introduction
- 09:0209:02, 23 March 2018 diff hist +155 Rep:Zw4415:TSexercise →.log Files for Exercise 2
- 08:5808:58, 23 March 2018 diff hist +155 Rep:Zw4415:TSexercise →MO diagram
- 08:5408:54, 23 March 2018 diff hist +161 Rep:Zw4415:TSexercise →Exercise 1: Reaction of Butadiene with Ethylene
- 08:5308:53, 23 March 2018 diff hist +296 Rep:Zw4415:TSexercise →The computational method
22 March 2018
- 23:5323:53, 22 March 2018 diff hist +199 Rep:XP715TS →Exercise 3: Diels-Alder vs Cheletropic
- 23:4923:49, 22 March 2018 diff hist +110 Rep:XP715TS →Energy Analysis
- 23:4323:43, 22 March 2018 diff hist +327 Rep:XP715TS →Exercise 1: Reaction of Butadiene with Ethylene
- 22:3322:33, 22 March 2018 diff hist +296 Rep:MOD:JDN15Y3lab →Exercise 3: Diels-Alder vs Cheletropic
- 22:2122:21, 22 March 2018 diff hist +233 Rep:MOD:JDN15Y3lab →Gaussview tool used for calculations
- 22:1722:17, 22 March 2018 diff hist +76 Rep:MOD:JDN15Y3lab →Gaussview tool used for calculations
- 22:1522:15, 22 March 2018 diff hist +306 Rep:MOD:JDN15Y3lab →Introduction
- 10:4610:46, 22 March 2018 diff hist +218 Rep:Mod:pk1615Yr3 →Exercise 3
- 10:4510:45, 22 March 2018 diff hist +249 Rep:Mod:pk1615Yr3 →Energy calculations=
- 10:4310:43, 22 March 2018 diff hist +103 Rep:Mod:pk1615Yr3 →Energy calculations
- 10:4010:40, 22 March 2018 diff hist +235 Rep:Mod:pk1615Yr3 →Normal and Inverse demand Diels-Alder reaction analysis
- 10:2210:22, 22 March 2018 diff hist +535 Rep:Mod:pk1615Yr3 →The Potential Energy Surface of a system
- 10:1910:19, 22 March 2018 diff hist +251 Rep:Mod:pk1615Yr3 →The Potential Energy Surface of a system
- 10:0510:05, 22 March 2018 diff hist +283 Rep:Kh1015TSEx2RD →Exercise 2 Results and Discussion.
- 10:0110:01, 22 March 2018 diff hist +151 Rep:Kh1015TSEx2RD →Part 4: Interactive Vibration Animation of TS for Both Endo and Exo Path.
- 09:5909:59, 22 March 2018 diff hist +147 Rep:Kh1015TSEx2RD →Part 3: Secondary Orbital Interactions and Sterics.
- 09:5609:56, 22 March 2018 diff hist +239 Rep:Kh1015TS →4. Methodology.
- 09:5209:52, 22 March 2018 diff hist +498 Rep:Kh1015TS →C.Intrinsic Reaction Coordinate (IRC).
- 09:4009:40, 22 March 2018 diff hist +266 Rep:Kh1015TS →B. Finding a Stable or Transition structure in a PES.
- 09:3709:37, 22 March 2018 diff hist +261 Rep:Kh1015TS →1) Semi Quantitative PM6 (Parameterization Method 6).
21 March 2018
- 21:4221:42, 21 March 2018 diff hist +247 Rep:Mod:cjc415 TS →Exercise 3: Diels-Alder vs Cheletropic
- 21:3921:39, 21 March 2018 diff hist +279 Rep:Mod:cjc415 TS →Molecular orbitals
- 21:3621:36, 21 March 2018 diff hist +366 Rep:Mod:cjc415 TS →Studying Transition States using Gaussview
- 21:2821:28, 21 March 2018 diff hist +266 Rep:Mod:cjc415 TS →What is a transition state?
- 21:2221:22, 21 March 2018 diff hist +300 Rep:Mod:aps315TS →Relevant Files
- 21:1921:19, 21 March 2018 diff hist +194 Rep:Mod:aps315TS →Molecular Orbitals
- 21:1721:17, 21 March 2018 diff hist +231 Rep:Mod:aps315TS →Molecular Orbitals
- 21:1321:13, 21 March 2018 diff hist +419 Rep:Mod:aps315TS →Introduction
- 17:4917:49, 21 March 2018 diff hist +276 Rep:Title=Mod:sjh115TS →Log Files
- 17:4517:45, 21 March 2018 diff hist +189 Rep:Title=Mod:sjh115TS →MO Diagram
- 17:4117:41, 21 March 2018 diff hist +235 Rep:Title=Mod:sjh115TS →Exercise 1: Reaction of Butadiene with Ethylene
9 March 2018
- 17:5617:56, 9 March 2018 diff hist +266 Rep:Mod:ts ew515 →Exercise 3: The Diels-Alder and Cheletropic Reactions of ortho-Xylylene with Sulfur Dioxide
- 17:4517:45, 9 March 2018 diff hist +301 Rep:Mod:ts ew515 →Thermochemistry
- 17:3917:39, 9 March 2018 diff hist +350 Rep:Mod:ts ew515 →The Potential Energy Surface
- 17:3117:31, 9 March 2018 diff hist +209 Rep:Mod:ts ew515 →The Potential Energy Surface