User contributions for Za511
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13 December 2014
- 11:4811:48, 13 December 2014 diff hist +11 User:Za511 →Optimisation of GaBr3
- 11:4811:48, 13 December 2014 diff hist +2 User:Za511 →GaBr3:B3LYP/LANL2DZ
- 11:4711:47, 13 December 2014 diff hist −2 User:Za511 →Optimisation of GaBr3
- 11:4711:47, 13 December 2014 diff hist −2 User:Za511 →BBr3:6-31G/LANL2DZ
- 11:4611:46, 13 December 2014 diff hist +3 User:Za511 →BBr3:6-31G/LANL2DZ
- 11:4511:45, 13 December 2014 diff hist +50 User:Za511 →Boron tribromide
- 11:4511:45, 13 December 2014 diff hist 0 File:ZA BBr3 OPT GEN outputsummarytable.JPG Za511 uploaded a new version of "File:ZA BBr3 OPT GEN outputsummarytable.JPG" current
- 11:4311:43, 13 December 2014 diff hist −2 User:Za511 →Optimisation of BH3
- 11:3911:39, 13 December 2014 diff hist −7 User:Za511 →Optimisation of BBr3
- 11:3811:38, 13 December 2014 diff hist −1 User:Za511 →B3LYP/6-31G(d,p) level
- 11:3711:37, 13 December 2014 diff hist +4 User:Za511 →B3LYP/3-21G level
- 11:3611:36, 13 December 2014 diff hist 0 File:ZA BH3 OPT 321 ptd.txt Za511 uploaded a new version of "File:ZA BH3 OPT 321 ptd.txt" current
- 11:3511:35, 13 December 2014 diff hist +1 User:Za511 →B3LYP/3-21G level
- 11:3511:35, 13 December 2014 diff hist 0 File:ZA bh3 opt 321.chk Za511 uploaded a new version of "File:ZA bh3 opt 321.chk" current
- 11:3211:32, 13 December 2014 diff hist 0 N File:ZA BH3 OPT 321 ptd.txt No edit summary
- 11:3111:31, 13 December 2014 diff hist +3 User:Za511 →B3LYP/3-21G level
- 11:3011:30, 13 December 2014 diff hist 0 File:Optimised BH3 summary table321 day 1.JPG Za511 uploaded a new version of "File:Optimised BH3 summary table321 day 1.JPG" current
- 11:2711:27, 13 December 2014 diff hist 0 N File:ZA bh3 opt 321.chk No edit summary
- 11:2511:25, 13 December 2014 diff hist +12 User:Za511 →Optimisation of BH3
12 December 2014
- 15:1815:18, 12 December 2014 diff hist +10 User:Za511 →Comparison of energies of NH3BH3 molecule and NH3 - BH3 fragements
- 15:1715:17, 12 December 2014 diff hist −5 User:Za511 →EX3 Section
- 15:1715:17, 12 December 2014 diff hist −9 User:Za511 →B3LYP/3-21G level
- 15:1615:16, 12 December 2014 diff hist 0 N File:ZA BH3 OPT 321.LOG No edit summary current
- 12:5012:50, 12 December 2014 diff hist +52 User:Za511 →Vibrational spectrum for NH3BH3
- 12:3712:37, 12 December 2014 diff hist +4 User:Za511 →Vibrational spectrum for NH3BH3
- 12:3412:34, 12 December 2014 diff hist −8 User:Za511 →Vibrational spectrum for GaBr3
- 12:2812:28, 12 December 2014 diff hist −30 User:Za511 →Vibrational spectrum for NH3
- 12:2212:22, 12 December 2014 diff hist +587 User:Za511 →Comparison of energies of NH3BH3 molecule and NH3 - BH3 fragements
- 12:2212:22, 12 December 2014 diff hist +57 User:Za511 →Comparison of energies of NH3BH3 molecule and NH3 - BH3 fragements
- 12:2012:20, 12 December 2014 diff hist +2 User:Za511 →Comparison of energies of NH3BH3 molecule and NH3 - BH3 fragements
- 12:2012:20, 12 December 2014 diff hist +139 User:Za511 →Comparison of energies of NH3BH3 molecule and NH3 - BH3 fragements
- 12:1012:10, 12 December 2014 diff hist +2 User:Za511 →Comparison of energies of NH3BH3 molecule and NH3 BH3 fragements
- 12:1012:10, 12 December 2014 diff hist +118 User:Za511 →Vibrational spectrum for NH3BH3
- 11:5811:58, 12 December 2014 diff hist −9 User:Za511 →B3LYP/6-31G (d,p) level
- 11:5811:58, 12 December 2014 diff hist 0 N File:ZA NH3 FREQ output.log No edit summary current
- 11:5711:57, 12 December 2014 diff hist 0 N File:ZA NH3 FREQ summarytable.JPG No edit summary current
- 11:4111:41, 12 December 2014 diff hist −65 User:Za511 →Vibrational spectrum for NH3BH3
- 11:3611:36, 12 December 2014 diff hist −9 User:Za511 →Vibrational spectrum for NH3BH3
- 11:3411:34, 12 December 2014 diff hist +14 User:Za511 →Vibrational spectrum for BH3
- 11:3111:31, 12 December 2014 diff hist +338 User:Za511 →B3LYP/6-31G (d,p) level
- 11:2011:20, 12 December 2014 diff hist +1,674 User:Za511 →Specific NBO charges within NH3:B3LYP/6-31G(d,p)
- 11:2011:20, 12 December 2014 diff hist 0 N File:Za ir nh3bh3.JPG No edit summary current
- 11:1611:16, 12 December 2014 diff hist 0 N File:ZA NH3BH3 FREQ OUTPUT SUMMARYTABLE.JPG No edit summary current
- 11:1411:14, 12 December 2014 diff hist 0 N File:ZA NH3BH3 FREQ OUTPUT.log No edit summary
- 11:1311:13, 12 December 2014 diff hist 0 N File:ZA NH3BH3 OPTI OUTPUT jmol.mol2 No edit summary current
- 11:1211:12, 12 December 2014 diff hist 0 N File:ZA NH3BH3 OPTI OUTPUT.rtf No edit summary current
- 11:1211:12, 12 December 2014 diff hist 0 N File:ZA NH3BH3 OPTI OUTPUT SUMMARYTABLE.JPG No edit summary current
11 December 2014
- 17:4917:49, 11 December 2014 diff hist +112 User:Za511 →Charge Distribution within NH3:B3LYP/6-31G(d,p)
- 17:3817:38, 11 December 2014 diff hist 0 N File:ZA SPECIFICNBOCHARGE NH3.JPG No edit summary current
- 17:3617:36, 11 December 2014 diff hist +1 User:Za511 →Charge Distribution within NH3:B3LYP/6-31G(d,p)