User contributions for El1612

6 March 2015

• 12:1712:17, 6 March 2015 diff hist −1 Rep:Mod:EL1612/INORG →Introduction
• 12:1712:17, 6 March 2015 diff hist −4 Rep:Mod:EL1612/INORG →DFT(B3LYP)/6-31G(d,p) Optimisation, Frequency and Natural Bonding orbital (NBO) Analysis of NH3
• 12:0912:09, 6 March 2015 diff hist +339 Rep:Mod:EL1612/INORG →DFT(B3LYP)/6-31G(d,p) Optimisation, Frequency and Natural Bonding orbital (NBO) Analysis of NH3
• 12:0012:00, 6 March 2015 diff hist 0 N File:ELC Specific NBO charges.PNG No edit summary current
• 11:5711:57, 6 March 2015 diff hist 0 N File:ELC Charge Distribution.PNG No edit summary current
• 11:5711:57, 6 March 2015 diff hist +843 Rep:Mod:EL1612/INORG →Results
• 11:5511:55, 6 March 2015 diff hist 0 N File:2015 ELC NH3 NBO.mol No edit summary current
• 11:5411:54, 6 March 2015 diff hist 0 N File:ELC Charge and colour range.PNG No edit summary current
• 11:5311:53, 6 March 2015 diff hist 0 N File:ELC NH3 NBO.log No edit summary current
• 11:4211:42, 6 March 2015 diff hist +14 Rep:Mod:EL1612/INORG →Results
• 11:3911:39, 6 March 2015 diff hist +427 Rep:Mod:EL1612/INORG →Results
• 11:2711:27, 6 March 2015 diff hist +72 Rep:Mod:EL1612/INORG →Results
• 11:2611:26, 6 March 2015 diff hist +278 Rep:Mod:EL1612/INORG →DFT(B3LYP)/6-31G(d,p) Optimisation, Frequency and Natural Bonding orbital (NBO) Analysis of NH3
• 11:1011:10, 6 March 2015 diff hist +2,504 Rep:Mod:EL1612/INORG →Results
• 11:0911:09, 6 March 2015 diff hist 0 N File:2105 ELC NH3 FREQ 631GDP.mol No edit summary current
• 11:0911:09, 6 March 2015 diff hist 0 N File:ELC NH3 FREQ SUMMARY.PNG No edit summary current
• 11:0011:00, 6 March 2015 diff hist 0 N File:ELC IR SPECTRUM NH3.PNG No edit summary current
• 10:5610:56, 6 March 2015 diff hist 0 N File:ELC NH3 FREQ 631GDP.LOG No edit summary current
• 10:5610:56, 6 March 2015 diff hist +380 Rep:Mod:EL1612/INORG →Results
• 10:5110:51, 6 March 2015 diff hist +725 Rep:Mod:EL1612/INORG →Results
• 10:4210:42, 6 March 2015 diff hist 0 N File:ELC NH3 Lowfreqtable.PNG No edit summary current
• 10:4010:40, 6 March 2015 diff hist +31 Rep:Mod:EL1612/INORG →Method
• 10:3610:36, 6 March 2015 diff hist +21 Rep:Mod:EL1612/INORG →Results
• 10:3510:35, 6 March 2015 diff hist +385 Rep:Mod:EL1612/INORG →Results
• 10:2510:25, 6 March 2015 diff hist +20 Rep:Mod:EL1612/INORG →Results
• 10:2510:25, 6 March 2015 diff hist +157 Rep:Mod:EL1612/INORG →Results
• 10:2410:24, 6 March 2015 diff hist 0 N File:ELC Items table NH3.PNG No edit summary current
• 10:2310:23, 6 March 2015 diff hist +1,198 Rep:Mod:EL1612/INORG →Results
• 10:2210:22, 6 March 2015 diff hist 0 N File:ELC NH3 OPT 631Gdp.mol No edit summary current
• 10:2110:21, 6 March 2015 diff hist 0 N File:ELC Summary table NH3.PNG No edit summary current
• 10:1810:18, 6 March 2015 diff hist 0 N File:ELC NH3 OPT 631GDP.LOG No edit summary current
• 10:1710:17, 6 March 2015 diff hist −1 Rep:Mod:EL1612/INORG →Results
• 10:1610:16, 6 March 2015 diff hist 0 Rep:Mod:EL1612/INORG →Results
• 10:1610:16, 6 March 2015 diff hist −1 Rep:Mod:EL1612/INORG →DFT(B3LYP)/6-31G(d,p)&LanL2DZ Mixed PP and Basis Set Optimisation of a BBr3 Molecule
• 10:1510:15, 6 March 2015 diff hist +1,125 Rep:Mod:EL1612/INORG →DFT(B3LYP)/6-31G(d,p) Natural Bonding orbital (NBO) Analysis of BH3

5 March 2015

• 22:1722:17, 5 March 2015 diff hist 0 File:ELC Orbital diagram BH3.png El1612 uploaded a new version of "File:ELC Orbital diagram BH3.png" current
• 22:0822:08, 5 March 2015 diff hist +289 Rep:Mod:EL1612/INORG →Results
• 22:0622:06, 5 March 2015 diff hist 0 File:ELC Orbital diagram BH3.png El1612 uploaded a new version of "File:ELC Orbital diagram BH3.png"
• 22:0422:04, 5 March 2015 diff hist 0 N File:ELC Orbital diagram BH3.png No edit summary
• 21:3121:31, 5 March 2015 diff hist +691 Rep:Mod:EL1612/INORG →DFT(B3LYP)/LanL2DZ Frequency Analysis of GaBr3
• 16:1216:12, 5 March 2015 diff hist +141 Rep:Mod:EL1612/INORG →Comparing the computed BH3 and the GaBr3 IR spectrum
• 16:1016:10, 5 March 2015 diff hist −22 Rep:Mod:EL1612/INORG →Comparing the computed BH3 and the GaBr3 IR spectrum
• 16:0916:09, 5 March 2015 diff hist +1 Rep:Mod:EL1612/INORG →Comparing the computed BH3 and the GaBr3 IR spectrum
• 16:0916:09, 5 March 2015 diff hist +261 Rep:Mod:EL1612/INORG →Comparing the computed BH3 and the GaBr3 IR spectrum
• 16:0816:08, 5 March 2015 diff hist 0 N File:ELC BH3 Freq Umbrella.gif No edit summary current
• 16:0716:07, 5 March 2015 diff hist +162 Rep:Mod:EL1612/INORG →Results
• 16:0616:06, 5 March 2015 diff hist 0 N File:ELC GaBr3 Freq umbrella movie.gif No edit summary current
• 16:0316:03, 5 March 2015 diff hist +1,048 Rep:Mod:EL1612/INORG No edit summary
• 15:1115:11, 5 March 2015 diff hist −110 Rep:Mod:EL1612/INORG →DFT(B3LYP)/LanL2DZ Frequency Analysis of GaBr3
• 15:0115:01, 5 March 2015 diff hist +139 Rep:Mod:EL1612/INORG →Results