User contributions for Tfi15

14 February 2018

• 00:5300:53, 14 February 2018 diff hist +2,321 Rep:TFI15.TS →Introduction
• 00:5300:53, 14 February 2018 diff hist −1,493 Rep:TFI15.TS No edit summary
• 00:5000:50, 14 February 2018 diff hist +93 Rep:TFI15.TS →1. Optimisation of Reactants, Transition State and Product
• 00:4800:48, 14 February 2018 diff hist +2,319 Rep:TFI15.TS →Introduction

13 February 2018

• 23:4723:47, 13 February 2018 diff hist −349 Rep:TFI15.TS →1. Optimisation of Reactants, Transition State and Product
• 23:4523:45, 13 February 2018 diff hist −570 Rep:TFI15.TS →1.3. Product
• 23:4523:45, 13 February 2018 diff hist +296 Rep:TFI15.TS.Opimtised molecules →1. Optimisation of Reactants, Transition State and Product
• 23:4423:44, 13 February 2018 diff hist +918 N Rep:TFI15.TS.Opimtised molecules Created page with " ===1. Optimisation of Reactants, Transition State and Product=== ====1.1. Reactants==== {| class="wikitable" ! style="background: #0D4F8B; color: white;" | Butadiene ! styl..."
• 23:4023:40, 13 February 2018 diff hist +4 Rep:TFI15.TS →1.2.1. Frequency Calculations
• 23:4023:40, 13 February 2018 diff hist 0 N File:TFI15 Ex 1 vibration.GIF No edit summary current
• 20:3520:35, 13 February 2018 diff hist +1,075 Rep:TFI15.TS →Exercise 3: Cycloaddition of o-xylylene and SO2
• 17:5817:58, 13 February 2018 diff hist +2 Rep:TFI15.TS →Reaction Scheme
• 17:5717:57, 13 February 2018 diff hist 0 N File:TFI15 Ex 3 reaction scheme 2.PNG No edit summary current
• 17:4717:47, 13 February 2018 diff hist +317 Rep:TFI15.TS →2.5. Secondary Orbital Interaction
• 17:4417:44, 13 February 2018 diff hist 0 N File:TFI15 Ex 2 SSO exo.PNG No edit summary current
• 17:4417:44, 13 February 2018 diff hist 0 N File:TFI15 Ex 2 SSO endo.PNG No edit summary current

12 February 2018

• 21:3621:36, 12 February 2018 diff hist 0 Rep:TFI15.TS →2.3. Molecular Orbitals Diagram of Transition State
• 21:3521:35, 12 February 2018 diff hist +2 Rep:TFI15.TS →2.3. MO Diagram of EXO Transition State VS. ENDO Transition State
• 21:3521:35, 12 February 2018 diff hist 0 N File:TFI15 Ex 2 endo MO 2.PNG No edit summary current
• 21:3521:35, 12 February 2018 diff hist 0 N File:TFI15 Ex 1 MO 3.PNG No edit summary current
• 20:5120:51, 12 February 2018 diff hist +2 Rep:TFI15.TS →2.3. Molecular Orbitals Diagram of Transition State
• 20:5120:51, 12 February 2018 diff hist 0 N File:TFI15 Ex 1 MO 2.PNG No edit summary current
• 20:5020:50, 12 February 2018 diff hist 0 File:TFI15 Ex 1 MO.PNG Tfi15 uploaded a new version of File:TFI15 Ex 1 MO.PNG current
• 19:4319:43, 12 February 2018 diff hist +54 Rep:TFI15.TS →1.1 Reactants
• 19:4019:40, 12 February 2018 diff hist +54 Rep:TFI15.TS →1.2. Transition State
• 19:3719:37, 12 February 2018 diff hist +54 Rep:TFI15.TS →1.3. Products
• 19:3319:33, 12 February 2018 diff hist +81 Rep:TFI15.TS →1. Optimsation to PM6 Level and IRC Calculations
• 19:2919:29, 12 February 2018 diff hist +33 Rep:TFI15.TS →1.2.2. IRC of Reaction
• 19:2719:27, 12 February 2018 diff hist +81 Rep:TFI15.TS →Exercise 1: Reaction of Butadiene and ethylene
• 16:5016:50, 12 February 2018 diff hist 0 Rep:TFI15.TS →2.1. Sum of Electrical and Thermal Free Energies
• 16:5016:50, 12 February 2018 diff hist +969 Rep:TFI15.TS →2.1. Energies of Reactants, Transition State and Products
• 16:4316:43, 12 February 2018 diff hist −57 Rep:TFI15.TS →2.4. Energy
• 16:4216:42, 12 February 2018 diff hist −121 Rep:TFI15.TS →2.4. Energy
• 16:4116:41, 12 February 2018 diff hist +131 Rep:TFI15.TS →2.4. Energy
• 16:3916:39, 12 February 2018 diff hist −1 Rep:TFI15.TS →2.4. Energy
• 16:3816:38, 12 February 2018 diff hist +30 Rep:TFI15.TS →2.4. Energy
• 16:3116:31, 12 February 2018 diff hist +968 Rep:TFI15.TS →2. MO Analysis
• 16:2016:20, 12 February 2018 diff hist +413 Rep:TFI15.TS →Exercise 3: Cycloaddition of o-xylylene and SO2
• 16:1616:16, 12 February 2018 diff hist 0 N File:TFI15 Ex 3 energy profile.PNG No edit summary current
• 16:1116:11, 12 February 2018 diff hist +3 Rep:TFI15.TS →2.3. MO Diagram of EXO Transition State VS. ENDO Transition State
• 16:0916:09, 12 February 2018 diff hist +481 Rep:TFI15.TS →2. MO Analysis
• 16:0416:04, 12 February 2018 diff hist 0 N File:TFI15 Ex 2 endo MO.PNG No edit summary current
• 16:0316:03, 12 February 2018 diff hist 0 N File:TFI15 Ex 2 exo MO.PNG No edit summary current
• 15:5815:58, 12 February 2018 diff hist +138 Rep:TFI15.TS →3. Bond lengths
• 15:5515:55, 12 February 2018 diff hist 0 N File:TFI15 Ex 1 bond length.PNG No edit summary current
• 15:2315:23, 12 February 2018 diff hist +7 Rep:TFI15.TS →2.3. Molecular Orbitals Diagram of Transition State
• 15:2215:22, 12 February 2018 diff hist +175 Rep:TFI15.TS →2. MO analysis
• 15:1915:19, 12 February 2018 diff hist 0 N File:TFI15 Ex 1 MO.PNG No edit summary
• 15:0815:08, 12 February 2018 diff hist 0 N File:TFI15 Ex 1 TS OPT.GIF No edit summary current
• 15:0615:06, 12 February 2018 diff hist 0 Rep:TFI15.TS →1.2.2. IRC of Reaction