User contributions for Hy08
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15 February 2011
- 20:0220:02, 15 February 2011 diff hist 0 N File:Initialircjmol.mol No edit summary current
- 19:1019:10, 15 February 2011 diff hist 0 N File:Partesummary.png No edit summary current
- 19:1019:10, 15 February 2011 diff hist 0 N File:SuccessfulQST2afterangleslogfile.log No edit summary current
- 19:0919:09, 15 February 2011 diff hist 0 N File:Boatlabellingwithangles.png No edit summary current
- 19:0919:09, 15 February 2011 diff hist 0 N File:FailedQST2logfile.log No edit summary current
- 19:0819:08, 15 February 2011 diff hist 0 N File:Initialboattsnumbering.png No edit summary current
- 19:0819:08, 15 February 2011 diff hist +4,105 Rep:Mod:hy3 →Optimising the boat transition structure
- 19:0119:01, 15 February 2011 diff hist 0 N File:TUEPARTE.LOG No edit summary current
- 19:0019:00, 15 February 2011 diff hist 0 N File:Tueparte.mol No edit summary current
- 18:5618:56, 15 February 2011 diff hist 0 N File:Part e qst2 b3lyp 631g ts.mol No edit summary current
- 18:3418:34, 15 February 2011 diff hist +2 Rep:Mod:hy3 →Optimising the chair transition structure: method 2
- 18:3318:33, 15 February 2011 diff hist 0 N File:D12summary.png No edit summary current
- 18:3318:33, 15 February 2011 diff hist 0 N File:D12logfile.log No edit summary current
- 18:3318:33, 15 February 2011 diff hist 0 N File:Coptlogfile.log No edit summary current
- 18:3218:32, 15 February 2011 diff hist +3,200 Rep:Mod:hy3 →Optimising the chair transition structure: method 2
- 18:2818:28, 15 February 2011 diff hist 0 N File:D 12.LOG No edit summary current
- 18:2518:25, 15 February 2011 diff hist 0 N File:D 12.mol No edit summary current
- 18:1118:11, 15 February 2011 diff hist 0 N File:D 11b.mol No edit summary current
- 18:0518:05, 15 February 2011 diff hist 0 N File:C opt attempt3.mol No edit summary current
- 18:0218:02, 15 February 2011 diff hist 0 N File:Hollychair1summary.png No edit summary current
- 18:0118:01, 15 February 2011 diff hist 0 N File:Hollychair1logfile.log No edit summary current
- 18:0118:01, 15 February 2011 diff hist +2,431 Rep:Mod:hy3 →Optimising the chair transition structure: method 1
- 17:5217:52, 15 February 2011 diff hist 0 N File:B TS CHAIR GUESS OPT.LOG No edit summary current
- 17:5017:50, 15 February 2011 diff hist 0 N File:B ts chair guess opt.mol No edit summary current
- 17:4817:48, 15 February 2011 diff hist +2 Rep:Mod:hy3 No edit summary
- 17:4717:47, 15 February 2011 diff hist −2 Rep:Mod:hy3 No edit summary
- 17:4617:46, 15 February 2011 diff hist 0 N File:Allylllogfile.log No edit summary current
- 17:4617:46, 15 February 2011 diff hist +1,121 Rep:Mod:hy3 →Optimising an initial allyl fragment
- 17:4117:41, 15 February 2011 diff hist +467 Rep:Mod:hy3 No edit summary
- 17:3517:35, 15 February 2011 diff hist 0 N File:A allyl fragment for hf321g.mol No edit summary current
11 February 2011
- 13:5113:51, 11 February 2011 diff hist 0 Rep:Mod:hy3 →Performing a frequency analysis on the antiperiplanar conformation of 1,5-hexadiene
- 13:5113:51, 11 February 2011 diff hist +428 Rep:Mod:hy3 →Performing a frequency analysis on the antiperiplanar conformation of 1,5-hexadiene
- 13:4113:41, 11 February 2011 diff hist 0 N File:Hollythermochemdata.png No edit summary current
- 13:4113:41, 11 February 2011 diff hist 0 N File:Hollyappirspectrum.png No edit summary current
- 13:4013:40, 11 February 2011 diff hist 0 N File:Hollyappfreqlogfile.log No edit summary current
- 13:3913:39, 11 February 2011 diff hist +7 Rep:Mod:hy3 →Performing a frequency analysis on the antiperiplanar conformation of 1,5-hexadiene
- 13:3913:39, 11 February 2011 diff hist +92 Rep:Mod:hy3 →Performing a frequency analysis on the antiperiplanar conformation of 1,5-hexadiene
- 13:3813:38, 11 February 2011 diff hist +1,808 Rep:Mod:hy3 →Performing a frequency analysis on the antiperiplanar conformation of 1,5-hexadiene
- 12:1912:19, 11 February 2011 diff hist +1,273 Rep:Mod:hy3 →Optimising a gauche conformation of 1,5-hexadiene
- 12:1812:18, 11 February 2011 diff hist −1 Rep:Mod:hy3 →Optimising an antiperiplanar conformation of 1,5-hexadiene
- 12:1712:17, 11 February 2011 diff hist 0 N File:Gaucheb3lypsummary.png No edit summary current
- 12:1612:16, 11 February 2011 diff hist −68 Rep:Mod:hy3 →Optimising a gauche conformation of 1,5-hexadiene
- 12:1612:16, 11 February 2011 diff hist +176 Rep:Mod:hy3 →Optimising a gauche conformation of 1,5-hexadiene
- 12:1512:15, 11 February 2011 diff hist 0 N File:Gaucheb3lyplogfile.log No edit summary current
- 12:1512:15, 11 February 2011 diff hist +363 Rep:Mod:hy3 →Optimising a gauche conformation of 1,5-hexadiene
- 12:1412:14, 11 February 2011 diff hist 0 N File:Gauche b3lyp 631gd optjmol.mol No edit summary current
- 12:1312:13, 11 February 2011 diff hist 0 N File:Gauchegeometrymatch.png No edit summary current
- 12:1212:12, 11 February 2011 diff hist 0 N File:Gauchesummaryhf.png No edit summary current
- 12:1212:12, 11 February 2011 diff hist +655 Rep:Mod:hy3 →Optimising a gauche conformation of 1,5-hexadiene
- 12:0912:09, 11 February 2011 diff hist 0 N File:Gauchehflogfile.log No edit summary current