User contributions for Mf108
26 October 2010
- 15:5615:56, 26 October 2010 diff hist +15 Mod5:selkirk.fox21 →Creating a Molecule
- 15:5515:55, 26 October 2010 diff hist −8 Mod5:selkirk.fox21 →Creating a Molecule
- 15:5415:54, 26 October 2010 diff hist +1,075 Mod5:selkirk.fox21 →Creating a Molecule
- 15:5015:50, 26 October 2010 diff hist +3 Mod5:selkirk.fox21 →Vibrational Analysis
- 15:4915:49, 26 October 2010 diff hist +478 Mod5:selkirk.fox21 →Vibrational Analysis
- 15:2715:27, 26 October 2010 diff hist +43 Mod5:selkirk.fox21 →Vibrational Analysis
- 15:2615:26, 26 October 2010 diff hist +18 Mod5:selkirk.fox21 →Vibrational Analysis
- 15:2515:25, 26 October 2010 diff hist +234 Mod5:selkirk.fox21 →Vibrational Analysis
- 15:2415:24, 26 October 2010 diff hist 0 N File:BH3 freq.2737.44(2).png No edit summary current
- 15:2415:24, 26 October 2010 diff hist 0 N File:BH3 freq.2737.44(1).png No edit summary current
- 15:2215:22, 26 October 2010 diff hist 0 N File:BH3 freq.2598.43.png No edit summary current
- 15:2215:22, 26 October 2010 diff hist 0 N File:BH3 freq.1203.64(2).png No edit summary current
- 15:2015:20, 26 October 2010 diff hist 0 N File:BH3 freq.1203.64(1).png No edit summary current
- 15:1915:19, 26 October 2010 diff hist 0 N File:BH3-freq.1144.MJCF.png No edit summary current
- 15:1815:18, 26 October 2010 diff hist 0 N File:BH3 IR spectrumMJCF.png No edit summary current
- 15:1315:13, 26 October 2010 diff hist +204 Mod5:selkirk.fox21 →Vibrational Analysis
- 15:1315:13, 26 October 2010 diff hist +289 Mod5:selkirk.fox21 →Vibrational Analysis
- 14:2414:24, 26 October 2010 diff hist +1 Mod5:selkirk.fox21 →Vibrational Analysis
- 14:2414:24, 26 October 2010 diff hist +131 Mod5:selkirk.fox21 →Vibrational Analysis
- 14:1114:11, 26 October 2010 diff hist +55 Mod5:selkirk.fox21 →Optimising a Molecule
- 14:0914:09, 26 October 2010 diff hist +39 Mod5:selkirk.fox21 →Vibrational Analysis
- 13:2413:24, 26 October 2010 diff hist +33 Mod5:selkirk.fox21 →nbo aalysis
- 13:2413:24, 26 October 2010 diff hist +22 Mod5:selkirk.fox21 →nbo analysis
- 13:0613:06, 26 October 2010 diff hist +39 Mod5:selkirk.fox21 →Molecular Orbitals
- 13:0513:05, 26 October 2010 diff hist +132 Mod5:selkirk.fox21 →Molecular Orbitals
- 12:3612:36, 26 October 2010 diff hist +1 Mod5:selkirk.fox21 →Molecular Orbitals
- 12:3612:36, 26 October 2010 diff hist −1 Mod5:selkirk.fox21 →Molecular Orbitals
- 12:0712:07, 26 October 2010 diff hist −2 Mod5:selkirk.fox21 →Molecular Orbitals
- 12:0612:06, 26 October 2010 diff hist +8 Mod5:selkirk.fox21 →Using Pseudo-potentials
- 12:0512:05, 26 October 2010 diff hist +11 Mod5:selkirk.fox21 →Molecular Orbitals
- 12:0412:04, 26 October 2010 diff hist +50 Mod5:selkirk.fox21 →Molecular Orbitals
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25 October 2010
- 16:0016:00, 25 October 2010 diff hist 0 Mod5:selkirk.fox21 →Analysing the Output
- 15:3915:39, 25 October 2010 diff hist 0 Mod5:selkirk.fox21 →Using Pseudo-potentials
- 15:1815:18, 25 October 2010 diff hist 0 Mod5:selkirk.fox21 →vibrational analysis
- 15:1715:17, 25 October 2010 diff hist +2 Mod5:selkirk.fox21 →Using Pseudo-potentials
- 15:1415:14, 25 October 2010 diff hist +59 Mod5:selkirk.fox21 →Using Pseudo-potentials
- 14:5014:50, 25 October 2010 diff hist +65 Mod5:selkirk.fox21 →Using Pseudo-potentials
- 14:4814:48, 25 October 2010 diff hist +44 Mod5:selkirk.fox21 →Using Pseudo-potentials
- 14:4714:47, 25 October 2010 diff hist 0 N File:TlBr3 optimisation data.png No edit summary current
- 14:4114:41, 25 October 2010 diff hist +1 Mod5:selkirk.fox21 →Analysing the Output
- 14:4014:40, 25 October 2010 diff hist +223 Mod5:selkirk.fox21 →Part B
- 14:1214:12, 25 October 2010 diff hist −1 Mod5:selkirk.fox21 →Analysing the Output
- 13:0713:07, 25 October 2010 diff hist +62 Mod5:selkirk.fox21 →Part A
- 11:4311:43, 25 October 2010 diff hist +59 Mod5:selkirk.fox21 →Analysing the Output
- 09:4409:44, 25 October 2010 diff hist +156 N Mod5:selkirk.fox21 New page: == Creating a Molecule == == Optimising a Molecule == == Analysing the Output == == Understanding Optimisations == === Part A === === Part B ===
22 October 2010
- 15:5715:57, 22 October 2010 diff hist +515 Mod5:mathieu.fox08 →Conclusion current
- 15:5315:53, 22 October 2010 diff hist +256 Mod5:mathieu.fox08 →C<sup>13</sup> NMR data
- 15:4715:47, 22 October 2010 diff hist +313 Mod5:mathieu.fox08 →C<sup>13</sup> NMR data
- 15:3715:37, 22 October 2010 diff hist +7 Mod5:mathieu.fox08 →Molecule 5:
- 15:3615:36, 22 October 2010 diff hist +21 Mod5:mathieu.fox08 →Atropisomerism