User contributions for El1612
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5 March 2015
- 14:5214:52, 5 March 2015 diff hist +263 Rep:Mod:EL1612/INORG →Method
- 14:4914:49, 5 March 2015 diff hist +131 Rep:Mod:EL1612/INORG →Method
- 14:4414:44, 5 March 2015 diff hist +76 Rep:Mod:EL1612/INORG →Results
- 14:4114:41, 5 March 2015 diff hist +76 Rep:Mod:EL1612/INORG →Results
- 14:3914:39, 5 March 2015 diff hist 0 N File:ELC Ir spectrum GaBr3.PNG No edit summary current
- 14:3814:38, 5 March 2015 diff hist +18 Rep:Mod:EL1612/INORG →Results
- 14:3614:36, 5 March 2015 diff hist +740 Rep:Mod:EL1612/INORG →Results
- 14:2814:28, 5 March 2015 diff hist +356 Rep:Mod:EL1612/INORG →DFT(B3LYP)/LanL2DZ Frequency Analysis of GaBr3
- 14:2014:20, 5 March 2015 diff hist −1 Rep:Mod:EL1612/INORG →DFT(B3LYP)/6-31G(d,p) Frequency Analysis of BH3
- 14:1914:19, 5 March 2015 diff hist −15 Rep:Mod:EL1612/INORG →DFT(B3LYP)/LanL2DZ Frequency Analysis of GaBr3
- 14:1014:10, 5 March 2015 diff hist +3,108 Rep:Mod:EL1612/INORG No edit summary
- 13:4713:47, 5 March 2015 diff hist 0 N File:ELC GaBr3 Freq low freq table.PNG No edit summary current
- 13:4213:42, 5 March 2015 diff hist 0 N File:2015 03 05 ELC BH3 freq OPT.mol No edit summary current
- 13:4013:40, 5 March 2015 diff hist 0 N File:2015 05 03 ELC GaBr3 Freq output.mol No edit summary current
- 13:3913:39, 5 March 2015 diff hist 0 N File:ELC GaBr3 Freq Summarytable.PNG No edit summary current
- 13:3913:39, 5 March 2015 diff hist 0 N File:ELC GaBr3 Freq output.log No edit summary current
- 11:3611:36, 5 March 2015 diff hist +2 Rep:Mod:EL1612/INORG →DFT/6-31G(d,p) Frequency Analysis of BH3
- 11:3611:36, 5 March 2015 diff hist +338 Rep:Mod:EL1612/INORG →DFT/6-31G(d,p) Frequency Analysis
- 11:2311:23, 5 March 2015 diff hist +620 Rep:Mod:EL1612/INORG →Results
- 11:0611:06, 5 March 2015 diff hist +351 Rep:Mod:EL1612/INORG →Results
- 10:5610:56, 5 March 2015 diff hist +1,842 Rep:Mod:EL1612/INORG →DFT/6-31G(d,p) Frequency Analysis
- 10:5510:55, 5 March 2015 diff hist 0 N File:ELC BH3 freq OPT summarytable.PNG No edit summary current
- 10:4010:40, 5 March 2015 diff hist 0 N File:ELC BH3 FREQ OPT.LOG No edit summary current
- 10:2910:29, 5 March 2015 diff hist 0 N File:ELC Low Freq table.PNG No edit summary current
- 10:2310:23, 5 March 2015 diff hist 0 N File:ELC IR SPECTRUM BH3.png No edit summary current
- 10:2310:23, 5 March 2015 diff hist +542 Rep:Mod:EL1612/INORG →DFT/6-31G(d,p) Frequency Analysis
- 10:0310:03, 5 March 2015 diff hist +217 Rep:Mod:EL1612/INORG →A Comparison of the Results of the Four Optimisations Carried Out
4 March 2015
- 19:1119:11, 4 March 2015 diff hist +3 Rep:Mod:EL1612/INORG →Pseudo-Potentials and Basis Sets
- 19:1019:10, 4 March 2015 diff hist −1 Rep:Mod:EL1612/INORG →Introduction to the Concept of Optimisation
- 19:1019:10, 4 March 2015 diff hist −2 Rep:Mod:EL1612/INORG →Pseudo-Potentials and Basis Sets
- 19:0919:09, 4 March 2015 diff hist −99 Rep:Mod:EL1612/INORG →DFT/3-21G optimisation of a BH3 molecule
- 19:0819:08, 4 March 2015 diff hist +94 Rep:Mod:EL1612/INORG →Introduction
- 19:0519:05, 4 March 2015 diff hist +108 Rep:Mod:EL1612/INORG →DFT/6-31G(d,p)LanLD2Z Mixed PP and Basis Set Optimisation of a BBr3 Molecule
- 19:0319:03, 4 March 2015 diff hist +22 Rep:Mod:EL1612/INORG →Results
- 18:5818:58, 4 March 2015 diff hist +404 Rep:Mod:EL1612/INORG →Results
- 18:5218:52, 4 March 2015 diff hist +190 Rep:Mod:EL1612/INORG →Results
- 18:4818:48, 4 March 2015 diff hist +265 Rep:Mod:EL1612/INORG →Results
- 18:2818:28, 4 March 2015 diff hist +24 Rep:Mod:EL1612/INORG →Results
- 18:2718:27, 4 March 2015 diff hist +24 Rep:Mod:EL1612/INORG →Results
- 18:2318:23, 4 March 2015 diff hist −1 Rep:Mod:EL1612/INORG →DFT/3-21G optimisation of a BH3 molecule
- 18:2218:22, 4 March 2015 diff hist 0 Rep:Mod:EL1612/INORG →Pseudo-Potentials and Basis Sets
- 18:2218:22, 4 March 2015 diff hist +420 Rep:Mod:EL1612/INORG →Results
- 18:2218:22, 4 March 2015 diff hist 0 N File:ELC BBr3 Items Table.PNG No edit summary current
- 18:1718:17, 4 March 2015 diff hist −8 Rep:Mod:EL1612/INORG →Results
- 18:1618:16, 4 March 2015 diff hist +1,333 Rep:Mod:EL1612/INORG →DFT/6-31G(d,p)LanLD2Z Mixed PP and Basis Set Optimisation of a Molecule of BBr3
- 18:1618:16, 4 March 2015 diff hist 0 N File:04 03 2015 ELC BBr3 OPT output.mol No edit summary current
- 18:1218:12, 4 March 2015 diff hist 0 N File:ELC BBr3 OPT output.log No edit summary current
- 18:1118:11, 4 March 2015 diff hist 0 N File:ELC BBr3 opt summary table.PNG No edit summary current
- 18:0818:08, 4 March 2015 diff hist 0 Rep:Mod:EL1612/INORG →DFT/6-31G(LanLD2Z) optimisation of a GaBr3 molecule
- 18:0718:07, 4 March 2015 diff hist 0 Rep:Mod:EL1612/INORG →DFT/6-31G(d,p)LanLD2Z mixed PP and basis set optimisation of a molecule of BBr3