Main public logs
Combined display of all available logs of ChemWiki. You can narrow down the view by selecting a log type, the username (case-sensitive), or the affected page (also case-sensitive).
- 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.)
- 12:22, 8 November 2024 Jbettenc talk contribs moved page Allene D2h to Allene orbitals (Better title after including both geometries on same page)
- 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
- 20:44, 30 November 2023 Hz1420 talk contribs moved page Run CRYSTALs on Imperial CX1 to CMSG disk and Shared Software on CX1 (Rename the page to allow for more general proposes)
- 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
- 15:05, 28 November 2023 Cahart talk contribs moved page Potential control and current flow using CP2K+SMEAGOL to Potential control and current induced forces using CP2K+SMEAGOL
- 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
- 10:44, 10 November 2023 Cahart talk contribs moved page Transport calculations using SMEAGOL to Potential control and current flow using CP2K+SMEAGOL
- 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
- 20:21, 1 November 2023 Cahart talk contribs uploaded File:Iv dos transmission.png
- 19:49, 30 October 2023 Cahart talk contribs uploaded a new version of File:Force all small.png
- 19:43, 30 October 2023 Cahart talk contribs uploaded File:Force all small.png (Au chain force small)
- 19:41, 30 October 2023 Cahart talk contribs uploaded File:Force all.png (Au chain (forces))
- 14:18, 27 October 2023 Mb620 talk contribs uploaded a new version of File:System and probes.png
- 14:14, 27 October 2023 Mb620 talk contribs uploaded File:System and probes.png
- 20:10, 28 June 2023 Mb620 talk contribs uploaded File:Yuhong.png
- 20:09, 28 June 2023 Mb620 talk contribs uploaded File:Chien-Yu.png
- 20:07, 28 June 2023 Mb620 talk contribs uploaded File:Anthony.png
- 21:32, 27 May 2023 Hz1420 talk contribs moved page File:IMG 20220410 202929.jpg to File:Huanyu profile.jpg
- 21:29, 27 May 2023 Hz1420 talk contribs uploaded File:IMG 20220410 202929.jpg (Profile image Huanyu)
- 15:24, 26 May 2023 Fg1020 talk contribs uploaded File:Fei.jpeg
- 22:49, 2 March 2023 Hz1420 talk contribs moved page Available CRYSTALs on Imperial CX1 to Run CRYSTALs on Imperial CX1
