User contributions for Smf115
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28 September 2019
- 21:1021:10, 28 September 2019 diff hist +131 Mod:ts tutorial →Intrinsic Reaction Coordinate (IRC) Calculation
- 20:1520:15, 28 September 2019 diff hist 0 Mod:ts tutorial →Tutorial Exercises: Generating a guess TS
- 20:1420:14, 28 September 2019 diff hist +8 Mod:ts tutorial →Tutorial Exercises: Generating a guess TS
- 11:0511:05, 28 September 2019 diff hist 0 Mod:ts tutorial →Approach 3: Starting from Reactants/Products
- 11:0411:04, 28 September 2019 diff hist −464 Mod:ts tutorial →Practice: Cope Rearrangement
- 11:0311:03, 28 September 2019 diff hist −20 Mod:ts tutorial →Approach 2: Freezing Atoms
- 11:0211:02, 28 September 2019 diff hist −1 Mod:ts tutorial →Approach 1: Straight Guess
- 11:0211:02, 28 September 2019 diff hist +2 Mod:ts tutorial →Tutorial Exercises: Generating a guess TS
- 11:0011:00, 28 September 2019 diff hist −1 Mod:ts tutorial →Intrinsic Reaction Coordinate (IRC) Calculation
- 10:5710:57, 28 September 2019 diff hist +5 Mod:ts tutorial →Intrinsic Reaction Coordinate (IRC) Calculation
- 10:5510:55, 28 September 2019 diff hist −162 Mod:ts tutorial →Gaussian Calculations
- 10:4810:48, 28 September 2019 diff hist +528 Mod:ts tutorial →Gaussian Calculations
- 10:3410:34, 28 September 2019 diff hist +58 Mod:ts tutorial →Introduction
- 10:3210:32, 28 September 2019 diff hist −4 Mod:ts tutorial →Introduction
22 September 2019
- 22:2022:20, 22 September 2019 diff hist +1,684 Mod:ts tutorial →Intrinsic Reaction Coordinate (IRC) Calculation
- 21:5921:59, 22 September 2019 diff hist +721 Mod:ts tutorial →Intrinsic Reaction Coordinate (IRC) Calculation
- 21:0121:01, 22 September 2019 diff hist −30 Mod:ts tutorial →Tutorial Exercsises: Generating a guess TS
- 20:4920:49, 22 September 2019 diff hist −6 Mod:ts tutorial →Transition State (TS Opt) Calculation
- 20:4820:48, 22 September 2019 diff hist −226 Mod:ts tutorial →Gaussian Calculations
- 20:4420:44, 22 September 2019 diff hist +26 Mod:ts tutorial →Transition State (TS Opt) Calculation
- 20:4120:41, 22 September 2019 diff hist +3 Mod:ts tutorial →Approach 3: Starting from Reactants/Products
- 18:2018:20, 22 September 2019 diff hist +184 Mod:ts tutorial →Tutorial Exercsises: Generating a guess TS
- 18:1418:14, 22 September 2019 diff hist −343 Mod:ts tutorial →Approach 2: Freezing Atoms
- 14:4214:42, 22 September 2019 diff hist +36 Mod:ts tutorial →Gaussian Calculations
- 14:3814:38, 22 September 2019 diff hist +80 Mod:ts tutorial →Intrinsic Reaction Coordinate (IRC) Calculation
- 12:5212:52, 22 September 2019 diff hist +90 Mod:ts tutorial →Generating a guess TS
- 12:5012:50, 22 September 2019 diff hist +816 Mod:ts tutorial →Transition State Calculations
- 12:4312:43, 22 September 2019 diff hist −6 Mod:ts tutorial →Transition State Calculations
- 12:3112:31, 22 September 2019 diff hist +78 Mod:ts tutorial →Generating a guess TS
- 12:3012:30, 22 September 2019 diff hist +3 Mod:ts tutorial →Generating a guess TS
- 12:2912:29, 22 September 2019 diff hist +3 Mod:ts tutorial →Gaussian Calculations
- 12:2812:28, 22 September 2019 diff hist +400 Mod:ts tutorial →Gaussian Calculations
- 12:2412:24, 22 September 2019 diff hist +50 Mod:ts tutorial →Gaussian Calculations
- 11:5611:56, 22 September 2019 diff hist 0 Mod:ts tutorial →Introduction
- 11:5511:55, 22 September 2019 diff hist +15 Mod:ts tutorial →Introduction
- 11:4311:43, 22 September 2019 diff hist −6 Mod:ts tutorial →Introduction
- 11:4311:43, 22 September 2019 diff hist −107 Mod:ts tutorial →Introduction
- 11:4111:41, 22 September 2019 diff hist +1 Mod:ts tutorial →Gaussian Calculations
- 11:4011:40, 22 September 2019 diff hist +6 Mod:ts tutorial →Gaussian Calculations
- 11:3911:39, 22 September 2019 diff hist +467 Mod:ts tutorial No edit summary
- 11:3411:34, 22 September 2019 diff hist 0 N File:TSTutorial2.png No edit summary
- 11:3111:31, 22 September 2019 diff hist +23 Mod:ts tutorial →Introduction
- 11:3011:30, 22 September 2019 diff hist 0 N File:TSTutorial1.png No edit summary
- 11:2011:20, 22 September 2019 diff hist +113 Mod:ts tutorial →Introduction
- 10:4210:42, 22 September 2019 diff hist +274 Mod:ts tutorial No edit summary
- 10:3710:37, 22 September 2019 diff hist +2,350 Mod:ts tutorial No edit summary
- 10:1710:17, 22 September 2019 diff hist −514 Mod:ts tutorialdraft Blanked the page current
- 09:5809:58, 22 September 2019 diff hist +514 N Mod:ts tutorialdraft Created page with "==Introduction== Within this lab you will be modelling several chemical reactions and analysing them by calculating transition state (TS) structures. Locating transition stat..."
9 September 2019
- 13:3913:39, 9 September 2019 diff hist 0 Third Year TS and Reactivity Lab →Lab Time and Report Submission