Upload log
Below is a list of the most recent file uploads. See the gallery of new files for a more visual overview.
- 18:12, 2 March 2026 Jbettenc talk contribs uploaded File:QR chemwiki home.svg (QR code encoding the home page URL for ChemWiki)
- 12:54, 28 November 2025 Jbettenc talk contribs uploaded a new version of File:CH3Cl freq.log (Multiply mode 1 by -1 to make displacement more visible)
- 12:42, 28 November 2025 Jbettenc talk contribs uploaded a new version of File:HOD.freq.molden (Multiply modes 2 and 3 by -1 to make displacements visible)
- 12:38, 28 November 2025 Jbettenc talk contribs reverted File:HOD.freq.molden to an old version (Reverted to version as of 11:37, 2 January 2025 (UTC))
- 12:34, 28 November 2025 Jbettenc talk contribs uploaded a new version of File:HOD.freq.molden (Multiply modes 2 and 3 by -1 to make displacements visible)
- 12:31, 28 November 2025 Jbettenc talk contribs uploaded a new version of File:H2O.freq.molden (Multiply mode 2 by -1 to make displacement more visible)
- 02:05, 13 October 2025 Gmallia talk contribs uploaded File:Cores.png
- 01:39, 13 October 2025 Gmallia talk contribs uploaded File:L9999.png
- 18:24, 10 September 2025 Jbettenc talk contribs uploaded a new version of File:CH4 freq.log (Repeat the computation for optimised geometry with this basis set.)
- 17:55, 10 September 2025 Jbettenc talk contribs uploaded a new version of File:CH4 freq.log (Change to a smaller STO-3g basis set which has better symmetrised normal modes)
- 14:51, 10 September 2025 Jbettenc talk contribs uploaded File:CH3Cl freq.log (Log of a Gaussian frequency calculation at HF/3-21g level of theory for chloro-methane.)
- 14:50, 10 September 2025 Jbettenc talk contribs uploaded File:CH4 freq.log (Log of a Gaussian frequency calculation at HF/3-21g level of theory for methane.)
- 12:05, 31 January 2025 Ab1122 talk contribs uploaded File:Question8 Visualisation noH.xyz
- 12:05, 31 January 2025 Ab1122 talk contribs uploaded File:Question7 Visualisation noH.xyz
- 12:04, 31 January 2025 Ab1122 talk contribs uploaded File:Question6 Visualisation noH.xyz
- 11:56, 30 January 2025 Ab1122 talk contribs uploaded File:Question1 Visualisation noH.xyz (xyz file of molecule for visualisation)
- 11:38, 2 January 2025 Jbettenc talk contribs uploaded File:CO2.freq.molden (Molden file for a frequency calculation on CO2 with Hartree-Fock and minimum basis set.)
- 11:37, 2 January 2025 Jbettenc talk contribs uploaded File:HOD.freq.molden (Molden file resulting from a frequency calculation on HDO with Hartree-Fock and a minimal basis set)
- 18:22, 18 December 2024 Jbettenc talk contribs uploaded File:CH4.freq.molden (Molden file of methane for a frequencies and normal mode calculation using Hartree-Fock and a minimal basis set.)
- 18:21, 18 December 2024 Jbettenc talk contribs uploaded File:CH3Cl.freq.molden (Molden file of chloro-methane of frequencies and normal modes from an Hartree-Fock calculation with minimal basis set.)
- 16:58, 18 December 2024 Jbettenc talk contribs uploaded File:H2O.freq.molden (Molden file with H2O vibrational frequencies and normal modes obtained from a Hartree-Fock calculation with a minimum basis set.)
- 11:43, 8 November 2024 Jbettenc talk contribs uploaded File:Allene twist.molden (Orbitals for allene in twisted configuration (D2d) from a extended Hückel calculation. Only few relevant orbitals most relevant for the C-C bonding character are considered.)
- 00:08, 8 November 2024 Jbettenc talk contribs uploaded File:Allene planar.molden (Orbitals for allene in planar configuration (D2h) from a extended Hückel calculation. Only few relevant orbitals most relevant for the C-C bonding character are considered. Symmetry labels do not match exactly the axes used.)
- 19:31, 31 January 2024 Cahart talk contribs uploaded File:Hartree all.png
- 15:19, 31 January 2024 Cahart talk contribs uploaded a new version of File:Em all.png
- 16:23, 29 January 2024 Cahart talk contribs uploaded a new version of File:Em all.png
- 16:22, 29 January 2024 Cahart talk contribs uploaded File:Em au-wire.png
- 15:22, 23 January 2024 Cahart talk contribs uploaded File:Siesta cp2k c1 c2.png
- 15:20, 23 January 2024 Cahart talk contribs uploaded a new version of File:Bias em.png
- 15:11, 23 January 2024 Cahart talk contribs uploaded a new version of File:Flow chart smeagol.png
- 15:02, 23 January 2024 Cahart talk contribs uploaded File:Em all.png
- 11:42, 29 November 2023 Cahart talk contribs uploaded File:Au h2 2.png
- 10:40, 29 November 2023 Cahart talk contribs uploaded File:Profile.png
- 16:35, 28 November 2023 Cahart talk contribs uploaded File:Benchmarking.png
- 16:11, 28 November 2023 Cahart talk contribs uploaded File:Au-bdt transmission.png
- 17:24, 16 November 2023 Cahart talk contribs uploaded File:Au h2.png (New)
- 17:23, 16 November 2023 Cahart talk contribs uploaded File:Geo opt only small.png
- 17:22, 16 November 2023 Cahart talk contribs uploaded a new version of File:Au-h2 Au geo-opt.png
- 17:21, 16 November 2023 Cahart talk contribs uploaded File:Geo opt only.png
- 12:06, 10 November 2023 Cahart talk contribs uploaded File:Bias em.png
- 12:05, 10 November 2023 Cahart talk contribs uploaded File:Flow chart smeagol.png
- 10:59, 7 November 2023 Cahart talk contribs uploaded File:Au-h2 Au geo-opt.png
- 10:50, 7 November 2023 Cahart talk contribs uploaded a new version of File:Au-h2 geo-opt.png (Reverted to version as of 10:49, 7 November 2023)
- 10:49, 7 November 2023 Cahart talk contribs uploaded a new version of File:Au-h2 geo-opt.png
- 10:49, 7 November 2023 Cahart talk contribs uploaded a new version of File:Au-h2 geo-opt.png
- 20:57, 6 November 2023 Cahart talk contribs uploaded File:Au-h2 geo-opt.png
- 12:34, 6 November 2023 Cahart talk contribs uploaded a new version of File:Bound states.png
- 12:11, 6 November 2023 Cahart talk contribs uploaded File:Bound states.png
- 12:11, 6 November 2023 Cahart talk contribs uploaded File:Au-capacitor.png
- 20:54, 1 November 2023 Cahart talk contribs uploaded a new version of File:Iv dos transmission.png
