User contributions for Ft311

14 October 2013

• 14:0014:00, 14 October 2013 diff hist −2 Rep:Mod:fred123 →Optimisation of [N(CH3)4]+
• 14:0014:00, 14 October 2013 diff hist +1 Rep:Mod:fred123 →=Summary table
• 13:5913:59, 14 October 2013 diff hist 0 Rep:Mod:fred123 →Optimisation of [N(CH3)4]+</sup)
• 13:5913:59, 14 October 2013 diff hist +72 Rep:Mod:fred123 →Ionic Liquids (Part 1)
• 13:3213:32, 14 October 2013 diff hist +26 Rep:Mod:fred123 →IR spectrum
• 13:3013:30, 14 October 2013 diff hist −7 Rep:Mod:fred123 →Energy comparison
• 13:2613:26, 14 October 2013 diff hist 0 Rep:Mod:fred123 →BH3 Optimization (3-21G basis set)
• 13:2413:24, 14 October 2013 diff hist 0 File:BH3 MO DIAGRAM.PNG uploaded a new version of "File:BH3 MO DIAGRAM.PNG"
• 13:2313:23, 14 October 2013 diff hist +363 Rep:Mod:fred123 →IR spectrum
• 13:0213:02, 14 October 2013 diff hist −1 Rep:Mod:fred123 →Are there any significant differences between the real and LCAO MOs?
• 13:0113:01, 14 October 2013 diff hist −5 Rep:Mod:fred123 →Has there been a reordering of modes?
• 12:4912:49, 14 October 2013 diff hist +446 Rep:Mod:fred123 →What difference does changing the central element make?
• 12:3812:38, 14 October 2013 diff hist +674 Rep:Mod:fred123 →Comparison between BH3, GaBr3, and BBr3

13 October 2013

• 20:3420:34, 13 October 2013 diff hist −49 Rep:Mod:fred123 →GaBr3 Optimization (LanL2DZ basis set)
• 20:3320:33, 13 October 2013 diff hist +1 Rep:Mod:fred123 →GaBr3 Optimization (LanL2DZ basis set)
• 20:3320:33, 13 October 2013 diff hist −16 Rep:Mod:fred123 →GaBr3 Optimization (LanL2DZ basis set)
• 20:3120:31, 13 October 2013 diff hist +301 Rep:Mod:fred123 →GaBr3 Optimization (LanL2DZ basis set)
• 20:2920:29, 13 October 2013 diff hist −253 Rep:Mod:fred123 →GaBr3 Optimization (LanL2DZ basis set)
• 20:1520:15, 13 October 2013 diff hist +18 Rep:Mod:fred123 →IR spectrum
• 20:1120:11, 13 October 2013 diff hist 0 Rep:Mod:fred123 →Energy comparison
• 20:1020:10, 13 October 2013 diff hist 0 Rep:Mod:fred123 →Energy comparison
• 20:0920:09, 13 October 2013 diff hist +2 Rep:Mod:fred123 →Summary table
• 20:0820:08, 13 October 2013 diff hist 0 Rep:Mod:fred123 →NBO Analysis of NH3
• 20:0820:08, 13 October 2013 diff hist +1 Rep:Mod:fred123 →NBO Analysis of NH3
• 20:0620:06, 13 October 2013 diff hist +1 Rep:Mod:fred123 →Summary table
• 20:0620:06, 13 October 2013 diff hist +1 Rep:Mod:fred123 →BBr3 Optimization (6-31G d,p basis set)
• 20:0420:04, 13 October 2013 diff hist +1 Rep:Mod:fred123 →GaBr3 Optimization (LanL2DZ basis set)
• 20:0420:04, 13 October 2013 diff hist +1 Rep:Mod:fred123 →BH3 Optimization [6-31G(d,p)basis set]
• 20:0320:03, 13 October 2013 diff hist +1 Rep:Mod:fred123 →BH3 Optimization (3-21G basis set)
• 20:0220:02, 13 October 2013 diff hist −22 Rep:Mod:fred123 →Energy comparison
• 19:5719:57, 13 October 2013 diff hist −25 Rep:Mod:fred123 →Low Frequencies
• 19:5519:55, 13 October 2013 diff hist −8 Rep:Mod:fred123 →Low frequencies
• 19:5519:55, 13 October 2013 diff hist −12 Rep:Mod:fred123 →Low frequencies
• 19:5419:54, 13 October 2013 diff hist −59 Rep:Mod:fred123 →Association energies: Ammonia-Borane
• 19:5219:52, 13 October 2013 diff hist −34 Rep:Mod:fred123 →Low frequencies
• 19:4719:47, 13 October 2013 diff hist +2 Rep:Mod:fred123 →"Item" table
• 19:4619:46, 13 October 2013 diff hist +2 Rep:Mod:fred123 →"Item" table
• 19:4419:44, 13 October 2013 diff hist −14 Rep:Mod:fred123 →NBO Analysis of NH3
• 19:4319:43, 13 October 2013 diff hist −95 Rep:Mod:fred123 →Frequency comparison table
• 19:3919:39, 13 October 2013 diff hist −5 Rep:Mod:fred123 →Low Frequencies
• 19:3819:38, 13 October 2013 diff hist −5 Rep:Mod:fred123 →GaBr3 Optimization (LanL2DZ basis set)
• 19:3719:37, 13 October 2013 diff hist −22 Rep:Mod:fred123 →Low Frequencies
• 19:3419:34, 13 October 2013 diff hist −8 Rep:Mod:fred123 →Vibration table
• 19:3319:33, 13 October 2013 diff hist −42 Rep:Mod:fred123 →Vibration table
• 19:3019:30, 13 October 2013 diff hist −14 Rep:Mod:fred123 →Summary table
• 19:2919:29, 13 October 2013 diff hist −33 Rep:Mod:fred123 →Low frequencies
• 19:2519:25, 13 October 2013 diff hist +45 Rep:Mod:fred123 →"Item" table
• 19:2419:24, 13 October 2013 diff hist −9 Rep:Mod:fred123 →Comparison between BH3, GaBr3, and BBr3
• 19:2319:23, 13 October 2013 diff hist +27 Rep:Mod:fred123 →"Item" table
• 19:2319:23, 13 October 2013 diff hist +43 Rep:Mod:fred123 →BBr3 Optimization (6-31G d,p basis set)