User contributions for Smf115
Appearance
8 January 2020
- 17:5217:52, 8 January 2020 diff hist +8 Mod:Hunt Research Group/python →Using Python
- 17:4817:48, 8 January 2020 diff hist +11 Mod:Hunt Research Group/python →Using Python
- 17:4717:47, 8 January 2020 diff hist +603 Mod:Hunt Research Group/python No edit summary
- 17:2517:25, 8 January 2020 diff hist −183 Mod:Hunt Research Group/python →Installing python as a stand alone
- 17:2017:20, 8 January 2020 diff hist +88 Mod:Hunt Research Group/PythonGeneral No edit summary
- 16:5116:51, 8 January 2020 diff hist +3,524 Mod:Hunt Research Group/python No edit summary
- 15:5715:57, 8 January 2020 diff hist +116 Mod:Hunt Research Group/PythonGeneral →Useful Libraries
- 15:5415:54, 8 January 2020 diff hist +209 Mod:Hunt Research Group/PythonGeneral No edit summary
- 15:4415:44, 8 January 2020 diff hist +176 Mod:Hunt Research Group/PythonGeneral →Managing environments
12 December 2019
- 14:2714:27, 12 December 2019 diff hist −2 Mod:Hunt Research Group →Py-chemshell
- 10:4210:42, 12 December 2019 diff hist +180 Mod:Hunt Research Group/Python Analysis Tools →molLego package
- 10:4110:41, 12 December 2019 diff hist +156 Mod:Hunt Research Group/Python Analysis Tools →molLego package
- 10:3410:34, 12 December 2019 diff hist +151 Mod:Hunt Research Group →Coding
- 10:3310:33, 12 December 2019 diff hist −1 Mod:Hunt Research Group/PythonGeneral →Useful Libraries=
- 10:3210:32, 12 December 2019 diff hist +1,248 N Mod:Hunt Research Group/PythonGeneral Created page with "==Getting started== Python is an object orientated programming language. Python is currently available as python 2 and python 3. Python 3 is recommended as future developme..."
- 10:2910:29, 12 December 2019 diff hist +484 N Mod:Hunt Research Group/Python Analysis Tools Created page with "== molLego package == The molLego package is hosted on GitHub and is available [https://github.com/SFin94/molLego here] To clone to your local computer: *Click on the ' Clon..."
- 10:1010:10, 12 December 2019 diff hist +181 Mod:Hunt Research Group →Coding
28 October 2019
- 10:1510:15, 28 October 2019 diff hist −16 Third Year TS and Reactivity Lab →Mark Scheme
- 10:1410:14, 28 October 2019 diff hist −28 Third Year TS and Reactivity Lab →Mark Scheme
23 October 2019
- 13:2613:26, 23 October 2019 diff hist −1 Mod:Hunt Research Group/mac setup →For NEW computers: install gaussview
14 October 2019
- 09:3909:39, 14 October 2019 diff hist 0 File:TSTutorial2.png Smf115 uploaded a new version of File:TSTutorial2.png current
- 09:0609:06, 14 October 2019 diff hist 0 File:TSTutorial2.png Smf115 uploaded a new version of File:TSTutorial2.png
- 09:0609:06, 14 October 2019 diff hist 0 File:TSTutorial2.png Smf115 uploaded a new version of File:TSTutorial2.png
- 09:0509:05, 14 October 2019 diff hist 0 File:TSTutorial2.png Smf115 uploaded a new version of File:TSTutorial2.png
- 09:0509:05, 14 October 2019 diff hist 0 File:TSTutorial2.png Smf115 uploaded a new version of File:TSTutorial2.png
- 09:0409:04, 14 October 2019 diff hist 0 File:TSTutorial1.png Smf115 uploaded a new version of File:TSTutorial1.png current
6 October 2019
- 21:1821:18, 6 October 2019 diff hist +50 Mod:ts tutorial →Reaction Barriers and Reaction Energies
- 21:1421:14, 6 October 2019 diff hist −217 Mod:ts tutorial →Intrinsic Reaction Coordinate (IRC) Calculation
- 21:1221:12, 6 October 2019 diff hist +11 Mod:ts tutorial →Reaction Barriers and Reaction Energies
29 September 2019
- 07:0207:02, 29 September 2019 diff hist −275 Mod:ts tutorial →Tutorial Exercises: Generating a guess TS
28 September 2019
- 22:3622:36, 28 September 2019 diff hist −340 Mod:ts tutorial →Summary of Methods
- 22:3322:33, 28 September 2019 diff hist +2 Mod:ts tutorial →Intrinsic Reaction Coordinate (IRC) Calculation
- 22:3322:33, 28 September 2019 diff hist +3,784 Mod:ts tutorial →Analysing Calculations
- 22:2922:29, 28 September 2019 diff hist −3,668 Mod:ts tutorial →Intrinsic Reaction Coordinate (IRC) Calculation
- 22:2822:28, 28 September 2019 diff hist +56 Mod:ts tutorial →Transition State (TS Opt) Calculation
- 22:2622:26, 28 September 2019 diff hist +86 Mod:ts tutorial →Transition State (TS Opt) Calculation
- 22:2122:21, 28 September 2019 diff hist +73 Mod:ts tutorial →Transition State (TS Opt) Calculation
- 22:1022:10, 28 September 2019 diff hist +91 Mod:ts tutorial →Appendix
- 21:5921:59, 28 September 2019 diff hist −468 Mod:ts tutorial →Gaussian Calculations
- 21:2921:29, 28 September 2019 diff hist +9 Mod:ts tutorial →Tutorial Exercises: Generating a guess TS
- 21:2721:27, 28 September 2019 diff hist −3 Mod:ts tutorial →Approach 2: Freezing Atoms
- 21:2721:27, 28 September 2019 diff hist +48 Mod:ts tutorial →Practice: Cope Rearrangement
- 21:2621:26, 28 September 2019 diff hist −1 Mod:ts tutorial →Practice: Cope Rearrangement
- 21:2521:25, 28 September 2019 diff hist −1 Mod:ts tutorial →Approach 1: Straight Guess
- 21:2421:24, 28 September 2019 diff hist 0 Mod:ts tutorial →Tutorial Exercises: Generating a guess TS
- 21:2421:24, 28 September 2019 diff hist −1 Mod:ts tutorial →Tutorial Exercises: Generating a guess TS
- 21:2321:23, 28 September 2019 diff hist +19 Mod:ts tutorial →Gaussian Calculations
- 21:1921:19, 28 September 2019 diff hist −60 Mod:ts tutorial →Intrinsic Reaction Coordinate (IRC) Calculation
- 21:1321:13, 28 September 2019 diff hist −1,250 Mod:ts tutorial →IRC
- 21:1121:11, 28 September 2019 diff hist +13 Mod:ts tutorial →Gaussian Calculations