User contributions for Kg809
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15 March 2012
- 13:5913:59, 15 March 2012 diff hist 0 N File:Kandy V no basis LUMO + 1.jpg No edit summary current
- 13:3313:33, 15 March 2012 diff hist 0 N File:V LUMO + 1.tif No edit summary current
- 13:2813:28, 15 March 2012 diff hist +987 Rep:Mod:jessrocks2 →NBO
- 12:0312:03, 15 March 2012 diff hist +73 Rep:Mod:jessrocks2 →Introduction
- 11:5011:50, 15 March 2012 diff hist 0 Rep:Mod:jessrocks2 →NBO
- 11:1411:14, 15 March 2012 diff hist −2 Rep:Mod:jessrocks2 →NBO
- 11:1311:13, 15 March 2012 diff hist +33 Rep:Mod:jessrocks2 →NBO
- 11:1011:10, 15 March 2012 diff hist +982 Rep:Mod:jessrocks2 →NBO
- 11:0911:09, 15 March 2012 diff hist 0 N File:Mn stabilisation energy (pseudo) kandy.JPG No edit summary current
- 11:0911:09, 15 March 2012 diff hist 0 N File:Cr stabilisation energy (pseudo) kandy.JPG No edit summary current
- 11:0811:08, 15 March 2012 diff hist 0 N File:V stabilisation energy (pseudo) kandy.JPG No edit summary current
- 11:0711:07, 15 March 2012 diff hist 0 N File:Mn stabilisation energy kandy.JPG No edit summary current
- 11:0711:07, 15 March 2012 diff hist 0 N File:Cr stabilisation energy kandy.JPG No edit summary current
- 11:0611:06, 15 March 2012 diff hist 0 N File:V stabilisation energy kandy.JPG No edit summary current
- 10:3610:36, 15 March 2012 diff hist +2,296 Rep:Mod:jessrocks2 →Vibrational analysis
- 10:1510:15, 15 March 2012 diff hist +40 Rep:Mod:jessrocks2 →Introduction
- 09:3109:31, 15 March 2012 diff hist +297 Rep:Mod:jessrocks2 →Cis and Trans Isomerisation3
- 09:2809:28, 15 March 2012 diff hist −1,070 Rep:Mod:jessrocks2 →TlBR3 Optimisation
- 09:2709:27, 15 March 2012 diff hist +51 Rep:Mod:jessrocks2 →TlBR3 Optimisation
- 09:2709:27, 15 March 2012 diff hist 0 N File:Gradient kandy.JPG No edit summary current
- 09:2509:25, 15 March 2012 diff hist −16 Rep:Mod:jessrocks2 →TlBR3 Optimisation
- 09:2409:24, 15 March 2012 diff hist +1 Rep:Mod:jessrocks2 →TlBR3 Optimisation
- 09:2309:23, 15 March 2012 diff hist +11 Rep:Mod:jessrocks2 →TlBR3 Optimisation
- 09:2209:22, 15 March 2012 diff hist +1 Rep:Mod:jessrocks2 →MO Diagram
- 09:2209:22, 15 March 2012 diff hist +8 Rep:Mod:jessrocks2 →IR Analysis
- 09:2109:21, 15 March 2012 diff hist −30 Rep:Mod:jessrocks2 →BH3 Molecule Optimisation
- 09:2009:20, 15 March 2012 diff hist +8 Rep:Mod:jessrocks2 →Frequency Analysis of optimised Cis-Isomer
- 09:1909:19, 15 March 2012 diff hist +80 Rep:Mod:jessrocks2 →Frequency Analysis of optimised Trans-Isomer
- 09:1809:18, 15 March 2012 diff hist +70 Rep:Mod:jessrocks2 →Frequency Analysis of optimised Cis-Isomer
- 09:1609:16, 15 March 2012 diff hist −2 Rep:Mod:jessrocks2 →Optional Corrected Optimisation (Tight method)
- 09:1609:16, 15 March 2012 diff hist −15 Rep:Mod:jessrocks2 →Cis and Trans Isomerisation3 Optimisation (Tight method)
- 09:1509:15, 15 March 2012 diff hist −4 Rep:Mod:jessrocks2 →Cis and Trans Isomerisation3 Optimisation (Loose method)
- 09:1409:14, 15 March 2012 diff hist +11 Rep:Mod:jessrocks2 →Cis and Trans Isomerisation3
- 09:1409:14, 15 March 2012 diff hist +33 Rep:Mod:jessrocks2 →IR Analysis
- 09:0609:06, 15 March 2012 diff hist −19 Rep:Mod:jessrocks2 →TlBR3 Optimisation
- 09:0309:03, 15 March 2012 diff hist +9 Rep:Mod:jessrocks2 →MO Diagram
- 09:0309:03, 15 March 2012 diff hist +10 Rep:Mod:jessrocks2 →MO Diagram
- 09:0209:02, 15 March 2012 diff hist +60 Rep:Mod:jessrocks2 →IR Analysis
- 09:0209:02, 15 March 2012 diff hist −33 Rep:Mod:jessrocks2 →IR Analysis
- 09:0109:01, 15 March 2012 diff hist 0 Rep:Mod:jessrocks2 →BH3 Molecule Optimisation
- 09:0009:00, 15 March 2012 diff hist +21 Rep:Mod:jessrocks2 →BH3 Molecule Optimisation
- 08:5908:59, 15 March 2012 diff hist −14 Rep:Mod:jessrocks2 →BH3 Molecule Optimisation
- 08:5808:58, 15 March 2012 diff hist −5 Rep:Mod:jessrocks2 →BH3 Molecule Optimisation
- 08:2808:28, 15 March 2012 diff hist +13 Rep:Mod:jessrocks2 →Introduction
14 March 2012
- 16:2416:24, 14 March 2012 diff hist +119 Rep:Mod:jessrocks2 →Introduction
- 16:2216:22, 14 March 2012 diff hist +57 Rep:Mod:jessrocks2 →Frequency Analysis of optimised Trans-Isomer
- 16:1916:19, 14 March 2012 diff hist +93 Rep:Mod:jessrocks2 →Frequency Analysis of optimised Cis-Isomer
- 16:1016:10, 14 March 2012 diff hist 0 Rep:Mod:jessrocks2 →Frequency Analysis of optimised Trans-Isomer
- 16:0816:08, 14 March 2012 diff hist +55 Rep:Mod:jessrocks2 →Frequency Analysis of optimised Cis-Isomer
- 16:0516:05, 14 March 2012 diff hist +69 Rep:Mod:jessrocks2 →Frequency Analysis of optimised Trans-Isomer