User contributions for Kg809
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11 March 2012
- 21:3421:34, 11 March 2012 diff hist +378 Rep:Mod:jessrocks2 →Vibrational analysis
- 21:3221:32, 11 March 2012 diff hist 0 N File:Mn 6-31g IR spectrum.JPG No edit summary current
- 21:3221:32, 11 March 2012 diff hist 0 N File:Cr 6-31g IR spectrum.JPG No edit summary current
- 21:3121:31, 11 March 2012 diff hist 0 N File:V 6-31g IR spectrum.JPG No edit summary current
- 21:3121:31, 11 March 2012 diff hist 0 N File:CO 6-31g IR spectrum.JPG No edit summary current
- 20:3220:32, 11 March 2012 diff hist −16 Rep:Mod:jessrocks2 →NBO
- 20:3120:31, 11 March 2012 diff hist 0 N File:Mn NBO final.jpg No edit summary current
- 20:3120:31, 11 March 2012 diff hist 0 N File:Cr NBO final.jpg No edit summary current
- 20:3020:30, 11 March 2012 diff hist 0 N File:V NBO final.jpg No edit summary current
- 18:0418:04, 11 March 2012 diff hist −638 Rep:Mod:jessrocks2 →NBO
- 18:0318:03, 11 March 2012 diff hist +638 Rep:Mod:jessrocks2 →NBO
- 18:0218:02, 11 March 2012 diff hist 0 N File:NBO for CO molecule.mol2 No edit summary current
- 18:0118:01, 11 March 2012 diff hist +554 Rep:Mod:jessrocks2 →NBO
- 18:0118:01, 11 March 2012 diff hist 0 N File:NBO of CO molecule.jpg No edit summary current
- 18:0018:00, 11 March 2012 diff hist +7 Rep:Mod:jessrocks2 →Vibrational analysis
- 17:2317:23, 11 March 2012 diff hist 0 N File:CO IR spectrum 6-311g.JPG No edit summary current
- 17:1917:19, 11 March 2012 diff hist 0 N File:CO molecule done again.gjf No edit summary current
- 17:0017:00, 11 March 2012 diff hist +1 Rep:Mod:jessrocks2 →Vibrational analysis
- 16:5916:59, 11 March 2012 diff hist 0 N File:Mn IR spectrum.JPG No edit summary current
- 16:5816:58, 11 March 2012 diff hist 0 N File:Cr IR spectrum.JPG No edit summary current
- 16:5716:57, 11 March 2012 diff hist 0 N File:V charged IR spectrum.JPG No edit summary current
- 16:5616:56, 11 March 2012 diff hist 0 N File:CO IR spectrum.JPG No edit summary current
- 16:5616:56, 11 March 2012 diff hist +548 Rep:Mod:jessrocks2 →Vibrational analysis
- 16:2616:26, 11 March 2012 diff hist +60 Rep:Mod:jessrocks2 →Molecules
- 16:2416:24, 11 March 2012 diff hist −24 Rep:Mod:jessrocks2 →Molecules
- 16:2416:24, 11 March 2012 diff hist 0 N File:CO molecule.mol2 No edit summary current
- 16:2316:23, 11 March 2012 diff hist 0 N File:CO molecule.jpg No edit summary current
- 16:1616:16, 11 March 2012 diff hist −22 Rep:Mod:jessrocks2 →Molecules
- 16:1216:12, 11 March 2012 diff hist +348 Rep:Mod:jessrocks2 →Molecules
- 16:1016:10, 11 March 2012 diff hist 0 N File:Mn re-done.mol2 No edit summary current
- 16:0916:09, 11 March 2012 diff hist 0 N File:Mn uncharged complex.jpg No edit summary current
- 16:0816:08, 11 March 2012 diff hist 0 N File:Redone Cr complex.mol2 No edit summary current
- 16:0716:07, 11 March 2012 diff hist 0 N File:Cr charged image.JPG No edit summary current
- 16:0716:07, 11 March 2012 diff hist 0 N File:V complex re-redone again (opt + freq).mol2 No edit summary current
- 16:0616:06, 11 March 2012 diff hist 0 N File:V charged image.JPG No edit summary current
- 15:0515:05, 11 March 2012 diff hist +16 Rep:Mod:jessrocks2 →Molecules
10 March 2012
- 21:0921:09, 10 March 2012 diff hist +798 Rep:Mod:jessrocks2 →Molecules
- 20:5120:51, 10 March 2012 diff hist +74 Rep:Mod:jessrocks2 →Mini Project
9 March 2012
- 13:3813:38, 9 March 2012 diff hist +239 Rep:Mod:jessrocks2 →Frequency Analysis of optimised Trans-Isomer
- 13:3313:33, 9 March 2012 diff hist 0 N File:Corrected Trans attempt 3 vibrational structure.mol2 No edit summary current
- 13:3013:30, 9 March 2012 diff hist 0 N File:Corrected Trans attempt 3 vibrational structure.gjf No edit summary current
- 13:2113:21, 9 March 2012 diff hist 0 N File:Trans attempt 3 vibrational structure.mol2 No edit summary current
- 13:1813:18, 9 March 2012 diff hist +244 Rep:Mod:jessrocks2 →Frequency Analysis of optimised Cis-Isomer
- 13:1813:18, 9 March 2012 diff hist 0 N File:Corrected cis attempt 3 vibrational structure.mol2 No edit summary current
- 13:1713:17, 9 March 2012 diff hist 0 N File:Cis attempt 3 vibrational structure.mol2 No edit summary current
- 13:0313:03, 9 March 2012 diff hist −1 Rep:Mod:jessrocks2 →Cis and Trans Isomerisation3 Optional Correected Optimisation (Tight method)
- 13:0313:03, 9 March 2012 diff hist −74 Rep:Mod:jessrocks2 →Cis and Trans Isomerisation3 Optional Optimisation (Tight method)
- 13:0213:02, 9 March 2012 diff hist 0 N File:Trans cis optimised summary.JPG No edit summary current
- 13:0213:02, 9 March 2012 diff hist 0 N File:Corrected cis optimised summary.JPG No edit summary current
- 12:5612:56, 9 March 2012 diff hist 0 N File:Trans corrected optimised structure.mol2 No edit summary current