User contributions for Avc110
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8 February 2013
- 10:1210:12, 8 February 2013 diff hist −5 Rep:Mod:XYZ2025 →Optimisation - low level basis set
- 10:1110:11, 8 February 2013 diff hist +6,737 Rep:Mod:XYZ2025 →Optimisation - low level basis set
- 10:0910:09, 8 February 2013 diff hist 0 N File:NC5H3 321G rmsgradient AVC.png No edit summary current
- 10:0810:08, 8 February 2013 diff hist 0 N File:NC5H3 321G totalenergy AVC.png No edit summary current
- 10:0810:08, 8 February 2013 diff hist 0 N File:NC5H6 321G AVC.mol No edit summary current
- 10:0810:08, 8 February 2013 diff hist 0 N File:NC5H3 321G AVC.png No edit summary current
- 10:0610:06, 8 February 2013 diff hist +2,005 Rep:Mod:XYZ2025 →Optimisation - low level basis set
- 10:0410:04, 8 February 2013 diff hist +2 Rep:Mod:XYZ2025 →Frequency analysis
- 10:0110:01, 8 February 2013 diff hist 0 N File:BC5H6 FREQ AVC.mol No edit summary current
- 10:0010:00, 8 February 2013 diff hist 0 N File:BC5H6 FREQ AVC.png No edit summary current
- 09:5909:59, 8 February 2013 diff hist +2,038 Rep:Mod:XYZ2025 →Frequency analysis
- 09:5909:59, 8 February 2013 diff hist −1 Rep:Mod:XYZ2025 →Frequency analysis
- 09:5809:58, 8 February 2013 diff hist +24 Rep:Mod:XYZ2025 →Optimisation - high level basis set
- 09:5809:58, 8 February 2013 diff hist +3,774 Rep:Mod:XYZ2025 →Optimisation - high level basis set
- 09:5409:54, 8 February 2013 diff hist 0 N File:BC5H6 631G rmsgradient AVC.png No edit summary current
- 09:5309:53, 8 February 2013 diff hist 0 N File:BC5H6 631G totalenergy AVC.png No edit summary current
- 09:5309:53, 8 February 2013 diff hist 0 N File:BC5H6 631G AVC.mol No edit summary current
- 09:5309:53, 8 February 2013 diff hist 0 N File:BC5H6 631G AVC.png No edit summary current
- 09:5209:52, 8 February 2013 diff hist +3,415 Rep:Mod:XYZ2025 →Optimisation - high level basis set
- 09:5009:50, 8 February 2013 diff hist +11 Rep:Mod:XYZ2025 →Optimisation - low level basis set
- 09:4909:49, 8 February 2013 diff hist +5,400 Rep:Mod:XYZ2025 →Optimisation - low level basis set
- 09:4709:47, 8 February 2013 diff hist 0 N File:BC5H6 321G AVC.mol No edit summary current
- 09:4609:46, 8 February 2013 diff hist −7 Rep:Mod:XYZ2025 →Optimisation - low level basis set
- 09:4509:45, 8 February 2013 diff hist 0 N File:BC5H6 rmsgradient AVC.png No edit summary current
- 09:4509:45, 8 February 2013 diff hist 0 N File:BC5H6 totalenergy AVC.png No edit summary current
- 09:4409:44, 8 February 2013 diff hist 0 N File:BC5H6 321G AVC.png No edit summary current
- 09:4409:44, 8 February 2013 diff hist +1,996 Rep:Mod:XYZ2025 →Optimisation - low level basis set
- 09:4009:40, 8 February 2013 diff hist +5 Rep:Mod:XYZ2025 →Frequency analysis
- 09:4009:40, 8 February 2013 diff hist −217 Rep:Mod:XYZ2025 →Frequency analysis
- 09:3609:36, 8 February 2013 diff hist +595 Rep:Mod:XYZ2025 →NBO analysis
- 09:3309:33, 8 February 2013 diff hist +55 Rep:Mod:XYZ2025 →Frequency analysis
7 February 2013
- 20:3720:37, 7 February 2013 diff hist −93 Rep:Mod:XYZ2025 →Frequency analysis
- 20:3420:34, 7 February 2013 diff hist +6 Rep:Mod:XYZ2025 →Frequency analysis
- 20:3320:33, 7 February 2013 diff hist 0 N File:BENZENE FREQ AVC.mol No edit summary current
- 20:3320:33, 7 February 2013 diff hist −9 Rep:Mod:XYZ2025 →Frequency analysis
- 20:3220:32, 7 February 2013 diff hist −15 Rep:Mod:XYZ2025 →Frequency analysis
- 20:3220:32, 7 February 2013 diff hist 0 N File:BENZENE FREQ AVC.png No edit summary current
- 20:3120:31, 7 February 2013 diff hist +2,362 Rep:Mod:XYZ2025 →Frequency analysis
- 20:3020:30, 7 February 2013 diff hist +30 Rep:Mod:XYZ2025 →Optimisation - high level basis set
- 20:2920:29, 7 February 2013 diff hist +1 Rep:Mod:XYZ2025 →Optimisation -high level basis set
- 20:2920:29, 7 February 2013 diff hist +14 Rep:Mod:XYZ2025 →High level basis set
- 20:2920:29, 7 February 2013 diff hist +2 Rep:Mod:XYZ2025 →Benzene optimisation
- 20:0820:08, 7 February 2013 diff hist 0 Rep:Mod:XYZ2025 →High level basis set
- 20:0720:07, 7 February 2013 diff hist 0 Rep:Mod:XYZ2025 →Low level basis set
- 20:0620:06, 7 February 2013 diff hist +60 Rep:Mod:XYZ2025 →Association energies
- 20:0520:05, 7 February 2013 diff hist +228 Rep:Mod:XYZ2025 →Association energies
- 20:0120:01, 7 February 2013 diff hist +28 Rep:Mod:XYZ2025 →Association energies
- 19:4919:49, 7 February 2013 diff hist +153 Rep:Mod:XYZ2025 →Association energies
- 19:4119:41, 7 February 2013 diff hist −127 Rep:Mod:XYZ2025 →Association energies
- 19:2919:29, 7 February 2013 diff hist +151 Rep:Mod:XYZ2025 →Association energies