User contributions for Jbettenc

15:3515:35, 2 December 2021 diff hist −57 Main Page Remove link to student generated content

17:0717:07, 18 November 2021 diff hist 0 Oh SH6 orbitals Change to molden file with MO coefficients from a Hückel calculation including only valence S orbitals
17:0217:02, 18 November 2021 diff hist +170 N File:SH6.molden Molden file for a Huckel calculation on Oh SH6 with only the valence orbitals of S. Information of sto-3g basis-set was added by hand such that orbitals can be displayed. current
16:1516:15, 18 November 2021 diff hist −10 m D4h H4 fragment orbitals Update link to molden file
16:1516:15, 18 November 2021 diff hist −10 m Oh H6 fragment orbitals Update link to molden file
16:1316:13, 18 November 2021 diff hist −10 Oh H6 fragment orbitals Use molden file from a Hückel calculation with cleaned up orbitals
16:1216:12, 18 November 2021 diff hist +133 N File:H6.molden Molden file for a Huckel calculation on Oh H6. Information of sto-3g basis-set was added by hand such that orbitals can be displayed. current
16:0316:03, 18 November 2021 diff hist 0 File:H4.molden Jbettenc uploaded a new version of File:H4.molden current
15:4615:46, 18 November 2021 diff hist 0 File:H4.molden Jbettenc uploaded a new version of File:H4.molden

20:0220:02, 17 November 2021 diff hist −10 D4h H4 fragment orbitals Change to molden file with MO coefficients from a Hückel calculation
20:0020:00, 17 November 2021 diff hist +134 N File:H4.molden Molden file for a Huckel calculation on D4h H4. Information of sto-3g basis-set was added by hand such that orbitals can be displayed.

12:3912:39, 12 November 2021 diff hist +10 m Programming a 2D Ising Model Minor changes to the warning at the top of the page.

23:4323:43, 9 November 2021 diff hist +843 Oh SH6 orbitals Add menu to select molecular orbitals
23:3723:37, 9 November 2021 diff hist +535 Oh H6 fragment orbitals Add menu to select molecular orbitals
23:3323:33, 9 November 2021 diff hist +387 D4h H4 fragment orbitals Add menu to select orbitals

11:0211:02, 8 November 2021 diff hist +37 m Oh H6 fragment orbitals Add atom labels
11:0111:01, 8 November 2021 diff hist +28 m D4h H4 fragment orbitals Add atom labels
02:5802:58, 8 November 2021 diff hist +5 m Oh SH6 orbitals Change applet title
02:5702:57, 8 November 2021 diff hist +1 m Oh SH6 orbitals Fix typo
02:5602:56, 8 November 2021 diff hist +563 N Oh SH6 orbitals Create page with SH6 orbitals based on molden file
02:5102:51, 8 November 2021 diff hist +120 N File:SH6 sto3g.scf.molden Molden file for a Hartree-Fock calculation with a STO-3g basis function for a SH6 structure optimised with Huckel method current
02:5002:50, 8 November 2021 diff hist +510 N Oh H6 fragment orbitals Creating page for H6 fragment orbitals based on molden file
02:4502:45, 8 November 2021 diff hist +89 N File:H6 sto3g.scf.molden Molden file for a Hartree-Fock calculation with a STO-3g basis set for the H6 Oh fragment current
02:4302:43, 8 November 2021 diff hist +255 D4h H4 fragment orbitals Change to use molden file
02:2802:28, 8 November 2021 diff hist +85 N File:H4 sto3g.scf.molden Molden file for a Hartree-Fock calculation of the H4 fragment with a STO-3G basis set current

17:0017:00, 7 November 2021 diff hist +83 N File:H4 D4h fragment.fchk Gaussian formatted checkpoint file for a Huckel calculation H4 in D4h configuration current
12:4512:45, 7 November 2021 diff hist +202 N D4h H4 fragment orbitals Page creation with the molecule i JSmol
12:3212:32, 7 November 2021 diff hist +49 N File:H4 Dh4 fragment.log Gaussian log file for a Huckel calculation on H4. current
11:5011:50, 7 November 2021 diff hist −18 Main Page Pass molecular reaction dynamics experiment to "Material from previous years"

17:0617:06, 23 April 2021 diff hist +9 m Raspberry Pi configuration Fix ImageJ plugins folder and typo current

18:2318:23, 4 July 2020 diff hist +158 m MRD:01535442 Adding comments current
17:5017:50, 4 July 2020 diff hist +447 m User:Rew18 Adding comments current
17:2017:20, 4 July 2020 diff hist +1,300 m MRD:01503252 Adding comments current

15:1015:10, 4 June 2020 diff hist +306 m MRD:lhl17 →Question 4: Highlight plagiarism current
15:0415:04, 4 June 2020 diff hist +32 m MRD:01496292 Add a <div> HTML element to allow for external referencing to this specific paragraph current
14:2514:25, 4 June 2020 diff hist +417 m MRD：01508610 →Reaction dynamics: Highlight plagiarism problem current