User contributions
Jump to navigation
Jump to search
- 13:13, 18 March 2021 diff hist +1 Solution LAB2 guanine
- 13:13, 18 March 2021 diff hist 0 Solution LAB2 guanine
- 13:13, 18 March 2021 diff hist +30 Solution LAB2 guanine
- 13:11, 18 March 2021 diff hist +58 Solution LAB2 guanine
- 13:10, 18 March 2021 diff hist +12 Solution LAB2 guanine
- 13:09, 18 March 2021 diff hist +1 Solution LAB2 guanine
- 13:09, 18 March 2021 diff hist +2 Solution LAB2 guanine
- 13:09, 18 March 2021 diff hist +144 Solution LAB2 guanine
- 13:05, 18 March 2021 diff hist +14 Solution LAB2 guanine
- 13:03, 18 March 2021 diff hist -1 Solution LAB2 guanine
- 13:03, 18 March 2021 diff hist +41 Solution LAB2 guanine
- 12:59, 18 March 2021 diff hist +109 N Solution LAB2 guanine Created page with "Once you have Avogadro installed, open it and let's use the molecular builder to visualise a Guanine molecule"
- 12:57, 18 March 2021 diff hist +38 Electronic properties of isolated molecules →Exercise1
- 12:55, 18 March 2021 diff hist 0 Electronic properties of isolated molecules →Exercise1
- 12:55, 18 March 2021 diff hist 0 Electronic properties of isolated molecules →Exercise1
- 12:55, 18 March 2021 diff hist +10 Electronic properties of isolated molecules →Exercise1
- 12:52, 18 March 2021 diff hist 0 N File:Guanine2.png current
- 12:51, 18 March 2021 diff hist 0 N File:Guanine1.png current
- 12:49, 18 March 2021 diff hist +56 Electronic properties of isolated molecules →Exercise1
- 12:37, 18 March 2021 diff hist -16 Electronic properties of isolated molecules
- 12:36, 18 March 2021 diff hist +4 Electronic properties of isolated molecules
- 12:35, 18 March 2021 diff hist +43 Electronic properties of isolated molecules
- 12:35, 18 March 2021 diff hist +24 Electronic properties of isolated molecules Tag: Visual edit: Switched
- 12:33, 18 March 2021 diff hist +340 N Electronic properties of isolated molecules Created page with " ===Exercise1=== '''Structural relaxation of the Guanine molecule''' *Use a molecular builder to find the initial molecular structure. (Avogadro) *Classical Force Field Rela..."
- 12:20, 18 March 2021 diff hist +1 Plotting and visualization tools →Avogadro
- 11:11, 18 March 2021 diff hist +49 LabQSM →Lecture 2: DFT simulations of Molecules
- 17:45, 16 December 2020 diff hist -5 Structural and electronic properties of semiconductors and metals →Exercise 9
- 15:28, 16 December 2020 diff hist +321 Non self-consistent calculations: Band structures and Density Of States →Examples and Exercises
- 11:36, 16 December 2020 diff hist +574 Solution LAB1 Al current
- 11:32, 16 December 2020 diff hist +16 Solution LAB1 Al
- 11:32, 16 December 2020 diff hist +113 Solution LAB1 Al
- 11:30, 16 December 2020 diff hist +26 N Solution LAB1 Al Created page with "thumb"
- 11:30, 16 December 2020 diff hist +14 N File:Al conv.png current
- 11:30, 16 December 2020 diff hist -3 Structural and electronic properties of semiconductors and metals →Exercise 9
- 11:29, 16 December 2020 diff hist +36 Structural and electronic properties of semiconductors and metals →Exercise 9
- 11:29, 16 December 2020 diff hist +96 Structural and electronic properties of semiconductors and metals →Exercise 9
- 11:28, 16 December 2020 diff hist +401 Structural and electronic properties of semiconductors and metals →Exercise 9
- 11:24, 16 December 2020 diff hist +14 Structural and electronic properties of semiconductors and metals →A metallic system: Aluminium
- 10:36, 16 December 2020 diff hist +60 Structural and electronic properties of semiconductors and metals →A metallic system: Aluminium
- 10:26, 16 December 2020 diff hist +64 Structural and electronic properties of semiconductors and metals →A metallic system: Aluminium
- 10:24, 16 December 2020 diff hist +508 Structural and electronic properties of semiconductors and metals →A metallic system: Aluminium
- 10:19, 16 December 2020 diff hist +94 Structural and electronic properties of semiconductors and metals Tag: Visual edit: Switched
- 10:19, 16 December 2020 diff hist +9 N File:Unnamed-4.jpg current
- 10:19, 16 December 2020 diff hist +8 N File:Unnamed-3.jpg current
- 15:20, 9 December 2020 diff hist +1 Structural and electronic properties of semiconductors and metals →Exercise 8
- 15:20, 9 December 2020 diff hist +117 Structural and electronic properties of semiconductors and metals →Structural Relaxation
- 14:43, 9 December 2020 diff hist +166 N Solution LAB1 relax Created page with "Results should look like: # ecut alat [Bohr] 40 6.4186936680 60 6.5707587960 80 6.62670408000 100 6.65135580000 120 6.65855306400" current
- 14:42, 9 December 2020 diff hist +36 Structural and electronic properties of semiconductors and metals →Exercise 7
- 14:38, 9 December 2020 diff hist +112 Structural and electronic properties of semiconductors and metals →Exercise 7
- 14:37, 9 December 2020 diff hist +3 Structural and electronic properties of semiconductors and metals →Exercise 7