User contributions for Sdb10
18 January 2013
- 19:5619:56, 18 January 2013 diff hist +1 Rep:Mod:altura No edit summary
- 19:5519:55, 18 January 2013 diff hist 0 Rep:Mod:altura No edit summary
- 19:5019:50, 18 January 2013 diff hist +2 Rep:Mod:altura No edit summary
- 19:4619:46, 18 January 2013 diff hist +2 Rep:Mod:altura No edit summary
- 19:4619:46, 18 January 2013 diff hist +585 Rep:Mod:altura No edit summary
- 19:0819:08, 18 January 2013 diff hist +355 Rep:Mod:altura No edit summary
- 18:1618:16, 18 January 2013 diff hist +40 N File:TlBr3 vibrational spectrum.jpg Vibrational Spectrum of TlBr<sub>3</sub> current
- 17:5517:55, 18 January 2013 diff hist +33 Rep:Mod:altura No edit summary
- 17:5417:54, 18 January 2013 diff hist +22 N File:TlBr3 freq output.mol2 TlBr3 frequency output current
- 16:2416:24, 18 January 2013 diff hist +68 Rep:Mod:altura No edit summary
- 16:2316:23, 18 January 2013 diff hist +117 Rep:Mod:altura No edit summary
- 16:1716:17, 18 January 2013 diff hist +48 N File:BH3 predicted IR spectrum.jpg The predicted IR spectrum calculated by Gaussian current
- 15:5915:59, 18 January 2013 diff hist −142 Rep:Mod:altura No edit summary
- 15:5515:55, 18 January 2013 diff hist +142 Rep:Mod:altura No edit summary
- 15:4115:41, 18 January 2013 diff hist 0 Rep:Mod:altura No edit summary
- 15:3815:38, 18 January 2013 diff hist 0 Rep:Mod:altura No edit summary
- 15:3315:33, 18 January 2013 diff hist −1 Rep:Mod:altura No edit summary
- 15:3215:32, 18 January 2013 diff hist +1 Rep:Mod:altura No edit summary
- 15:3015:30, 18 January 2013 diff hist 0 Rep:Mod:altura No edit summary
- 15:2515:25, 18 January 2013 diff hist −1 Rep:Mod:altura No edit summary
- 15:2315:23, 18 January 2013 diff hist +218 Rep:Mod:altura No edit summary
- 14:5114:51, 18 January 2013 diff hist +42 Rep:Mod:altura No edit summary
- 14:5014:50, 18 January 2013 diff hist +1,214 Rep:Mod:altura No edit summary
- 13:4813:48, 18 January 2013 diff hist +12 Rep:Mod:altura No edit summary
- 13:4613:46, 18 January 2013 diff hist +1 Rep:Mod:altura No edit summary
- 13:4613:46, 18 January 2013 diff hist +202 Rep:Mod:altura No edit summary
- 13:4113:41, 18 January 2013 diff hist 0 N File:Vibration 6 BH3 2715.43.gif No edit summary current
- 13:4113:41, 18 January 2013 diff hist 0 N File:Vibration 4 BH3 2715.43.gif No edit summary current
- 13:4113:41, 18 January 2013 diff hist 0 N File:Vibration 3 BH3 2582.26.gif No edit summary current
- 13:4113:41, 18 January 2013 diff hist 0 N File:Vibration 3 BH3 1213.19.gif No edit summary current
- 13:4113:41, 18 January 2013 diff hist 0 N File:Vibration 2 BH3 1213.19.gif No edit summary current
- 13:2913:29, 18 January 2013 diff hist +6 Rep:Mod:altura No edit summary
- 13:2813:28, 18 January 2013 diff hist +34 Rep:Mod:altura No edit summary
- 13:2713:27, 18 January 2013 diff hist +45 N File:1st Vibration of BH3.gif The vibration of BH3 occuring at 1163.00 cm-1 current
- 12:1612:16, 18 January 2013 diff hist +374 Rep:Mod:altura No edit summary
17 January 2013
- 18:2918:29, 17 January 2013 diff hist +348 Rep:Mod:altura No edit summary
- 17:4617:46, 17 January 2013 diff hist +1,484 Rep:Mod:altura No edit summary
- 17:0517:05, 17 January 2013 diff hist +286 Rep:Mod:altura No edit summary
- 17:0217:02, 17 January 2013 diff hist +32 Rep:Mod:altura No edit summary
- 17:0117:01, 17 January 2013 diff hist +268 N File:2 BH3 FREQ REPEAT.LOG The frequency calculation was repeated because it was noticed that the first calculation did not converge and the frequencies were slightly lower than expected. When repeated the calculation did converge and the frequencies correlated better with the exp current
- 14:5814:58, 17 January 2013 diff hist +1,200 Rep:Mod:altura No edit summary
- 14:2514:25, 17 January 2013 diff hist +361 Rep:Mod:altura No edit summary
- 13:2913:29, 17 January 2013 diff hist +53 N File:Optimised BBr3 moleule.jpg An image of the HPC optimised BBr3 optimised molecule current
- 13:2713:27, 17 January 2013 diff hist +41 Rep:Mod:altura No edit summary
- 13:1913:19, 17 January 2013 diff hist +48 N File:BBr3 optimisation log file.log Output file from the HPC calculated optimisation current
- 13:1813:18, 17 January 2013 diff hist +285 Rep:Mod:altura No edit summary
16 January 2013
- 15:1915:19, 16 January 2013 diff hist +139 Rep:Mod:altura No edit summary
- 15:0915:09, 16 January 2013 diff hist +10 Rep:Mod:altura No edit summary
- 15:0815:08, 16 January 2013 diff hist +89 Rep:Mod:altura No edit summary
- 15:0715:07, 16 January 2013 diff hist +42 N File:Optimised TlBr3 molecule.jpg Image showing the optimised TlBr3 molecule current
