User contributions for Za511
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11 December 2014
- 17:3617:36, 11 December 2014 diff hist +31 User:Za511 →Charge Distribution within NH3:B3LYP/6-31G(d,p)
- 17:3317:33, 11 December 2014 diff hist +104 User:Za511 →NH3:B3LYP/6-31G(d,p)
- 17:3317:33, 11 December 2014 diff hist 0 N File:ZA CHARGEDIST NH3.JPG No edit summary current
- 17:2217:22, 11 December 2014 diff hist +13 User:Za511 →NH3:B3LYP/6-31G(d,p)
- 17:2017:20, 11 December 2014 diff hist 0 N File:ZA NH3 energy pop outputCHK SUMMARYTABLE.JPG No edit summary current
- 16:4516:45, 11 December 2014 diff hist +556 User:Za511 →Vibrational spectrum for NH3
- 16:4516:45, 11 December 2014 diff hist 0 N File:ZA NH3 freq CHK summarytable.JPG No edit summary current
- 16:4016:40, 11 December 2014 diff hist +803 User:Za511 →B3LYP/6-31G (d,p) level
- 16:3816:38, 11 December 2014 diff hist 0 N File:ZA NH3 IR.JPG No edit summary current
- 16:1316:13, 11 December 2014 diff hist +1,191 User:Za511 →B3LYP/6-31G(d,p)level
- 16:0916:09, 11 December 2014 diff hist 0 N File:ZA NH3 freq output log.rtf No edit summary current
- 16:0316:03, 11 December 2014 diff hist +24 User:Za511 →BH3:B3LYP/6-31G(d,p)
- 15:5915:59, 11 December 2014 diff hist 0 N File:ZA NH3 optimization jmol.mol2 No edit summary current
- 15:4815:48, 11 December 2014 diff hist −301 User:Za511 →Molecular orbital analysis for NH3
- 15:4815:48, 11 December 2014 diff hist −726 User:Za511 →Optimisation of NH3
- 15:4715:47, 11 December 2014 diff hist −15 User:Za511 →Optimisation of NH3
- 15:4615:46, 11 December 2014 diff hist +808 User:Za511 →Molecular orbital analysis for NH3
- 15:4515:45, 11 December 2014 diff hist 0 N File:ZA NH3 optimization summarytable.JPG No edit summary current
- 15:4515:45, 11 December 2014 diff hist 0 N File:ZA NH3 optimization output log.rtf No edit summary current
- 15:4015:40, 11 December 2014 diff hist +49 User:Za511 →Molecular orbital analysis for BH3
- 15:4015:40, 11 December 2014 diff hist +236 User:Za511 →BH3:B3LYP/6-31G(d,p)
- 15:3915:39, 11 December 2014 diff hist 0 N File:ZA NH3 optimization CHK summarytable.JPG No edit summary current
- 14:5314:53, 11 December 2014 diff hist +262 User:Za511 →BH3:B3LYP/6-31G(d,p)
- 14:5214:52, 11 December 2014 diff hist −5 User:Za511 →Molecular orbital analysis for BH3
- 14:5114:51, 11 December 2014 diff hist −76 User:Za511 →BH3:B3LYP/6-31G(d,p)
- 14:5014:50, 11 December 2014 diff hist +297 User:Za511 →GaBr3:B3LYP/6-31G(d,p)
- 14:4214:42, 11 December 2014 diff hist 0 N File:ZA BH3 MOs energy summarytable.JPG No edit summary current
- 14:3814:38, 11 December 2014 diff hist +4 User:Za511 →Optimisation of energy for BH3
- 13:3113:31, 11 December 2014 diff hist +9 User:Za511 →Vibrational spectrum for GaBr3
- 13:3113:31, 11 December 2014 diff hist 0 N File:ZA GaBr3 frequency IRspec.JPG No edit summary current
- 13:2913:29, 11 December 2014 diff hist −13 User:Za511 →GaBr3:B3LYP/6-31G(d,p)
- 12:2612:26, 11 December 2014 diff hist +41 User:Za511 →Optimisation of energy for BH3
- 12:2512:25, 11 December 2014 diff hist +53 User:Za511 →Vibrational spectrum for GaBr3
- 11:4311:43, 11 December 2014 diff hist +829 User:Za511 →Vibrational spectrum for GaBr3
10 December 2014
- 19:0919:09, 10 December 2014 diff hist +12 User:Za511 →GaBr3:B3LYP/6-31G(d,p)
- 19:0819:08, 10 December 2014 diff hist 0 N File:ZA GaBr3 frequency outputfile summarytable.JPG No edit summary current
- 19:0819:08, 10 December 2014 diff hist 0 N File:ZA GaBr3 frequency outputlog.txt No edit summary current
- 19:0719:07, 10 December 2014 diff hist +1,168 User:Za511 →Vibrational spectrum for BH3
- 18:0618:06, 10 December 2014 diff hist +360 User:Za511 →Vibrational spectrum for BH3
- 17:5117:51, 10 December 2014 diff hist −1 User:Za511 →Vibrational spectrum for BH3
- 17:5117:51, 10 December 2014 diff hist 0 N File:IR spectrum ZA.JPG No edit summary current
- 17:3917:39, 10 December 2014 diff hist +2 User:Za511 →Vibrational spectrum for BH3
- 17:1517:15, 10 December 2014 diff hist +3 User:Za511 →Vibrational spectrum for BH3
- 16:4516:45, 10 December 2014 diff hist 0 User:Za511 →Vibrational spectrum for bH3
- 16:4416:44, 10 December 2014 diff hist +16 User:Za511 →BH3:B3LYP/6-31G(d,p)
- 16:4416:44, 10 December 2014 diff hist 0 N File:ZA BH3 frequency outputlogfile.rtf No edit summary current
- 16:4416:44, 10 December 2014 diff hist +10 User:Za511 →bH3:B3LYP/6-31G(d,p)
- 16:4316:43, 10 December 2014 diff hist 0 N File:ZA BH3 FREQUENCY summarytable.JPG No edit summary current
- 16:4216:42, 10 December 2014 diff hist +4,500 User:Za511 →EX3 Section
- 11:4911:49, 10 December 2014 diff hist +64 User:Za511 →Optimisation of BH3