User contributions for Sam11
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31 October 2013
- 10:4110:41, 31 October 2013 diff hist +472 User:Sam11 No edit summary
- 10:2210:22, 31 October 2013 diff hist +157 User:Sam11 No edit summary
- 10:2010:20, 31 October 2013 diff hist 0 N File:FREQ PART B OPTIMISATION HF 3-21G TO DFT B3LYP 6-31G.mol No edit summary current
- 10:2010:20, 31 October 2013 diff hist +785 User:Sam11 No edit summary
- 10:1310:13, 31 October 2013 diff hist +125 User:Sam11 No edit summary
- 10:1210:12, 31 October 2013 diff hist 0 File:Spectrum chair optimised.svg uploaded a new version of "File:Spectrum chair optimised.svg" current
- 10:1210:12, 31 October 2013 diff hist 0 N File:Spectrum chair optimised.svg No edit summary
- 10:1110:11, 31 October 2013 diff hist +309 User:Sam11 No edit summary
- 10:0810:08, 31 October 2013 diff hist 0 N File:Frequency -565 chair.gif No edit summary current
- 10:0710:07, 31 October 2013 diff hist +150 User:Sam11 No edit summary
- 09:3309:33, 31 October 2013 diff hist +785 User:Sam11 No edit summary
- 09:2009:20, 31 October 2013 diff hist +6 User:Sam11 No edit summary
- 09:1909:19, 31 October 2013 diff hist 0 N File:OPTIMISATION 6 WITH FROZEN BONDS CHECK.mol No edit summary current
- 05:2105:21, 31 October 2013 diff hist +478 User:Sam11 No edit summary
- 04:0104:01, 31 October 2013 diff hist +133 User:Sam11 No edit summary
- 04:0004:00, 31 October 2013 diff hist 0 N File:Optimisation 6 with frozen bonds.mol No edit summary current
- 03:5903:59, 31 October 2013 diff hist +599 User:Sam11 No edit summary
- 03:5103:51, 31 October 2013 diff hist +104 User:Sam11 No edit summary
- 03:4903:49, 31 October 2013 diff hist 0 N File:Other TS HF trial 2.mol No edit summary current
- 03:4903:49, 31 October 2013 diff hist +157 User:Sam11 No edit summary
- 03:4503:45, 31 October 2013 diff hist 0 N File:-554.48, IR 2.6827 im freq.gif No edit summary current
- 03:4503:45, 31 October 2013 diff hist +1,064 User:Sam11 No edit summary
- 03:1103:11, 31 October 2013 diff hist +333 User:Sam11 No edit summary
- 02:5502:55, 31 October 2013 diff hist +506 User:Sam11 No edit summary
- 02:0002:00, 31 October 2013 diff hist +180 User:Sam11 No edit summary
- 01:5901:59, 31 October 2013 diff hist 0 N File:Hartree fock with USE THIS ONE checked bond lengths optimisation + frequency.mol No edit summary current
- 01:5801:58, 31 October 2013 diff hist +108 User:Sam11 No edit summary
- 01:5701:57, 31 October 2013 diff hist 0 N File:-8181 exactly spectrum.svg No edit summary current
- 01:5701:57, 31 October 2013 diff hist +952 User:Sam11 No edit summary
- 01:5001:50, 31 October 2013 diff hist 0 N File:-818 vibration exactly.gif No edit summary current
- 01:2401:24, 31 October 2013 diff hist +92 User:Sam11 No edit summary
- 01:2301:23, 31 October 2013 diff hist 0 N File:Ir spec. number 2 No edit summary current
- 01:2301:23, 31 October 2013 diff hist +150 User:Sam11 No edit summary
- 01:2001:20, 31 October 2013 diff hist 0 File:-818.14, im fr..gif uploaded a new version of "File:-818.14, im fr..gif" current
- 01:1901:19, 31 October 2013 diff hist 0 N File:-818.14, im fr..gif No edit summary
- 01:1801:18, 31 October 2013 diff hist +139 User:Sam11 No edit summary
- 01:1401:14, 31 October 2013 diff hist 0 N File:Number 2.mol No edit summary current
- 01:1301:13, 31 October 2013 diff hist +837 User:Sam11 No edit summary
- 00:4800:48, 31 October 2013 diff hist +97 User:Sam11 No edit summary
- 00:3100:31, 31 October 2013 diff hist +65 User:Sam11 No edit summary
- 00:3000:30, 31 October 2013 diff hist 0 N File:Ts ir no.2 No edit summary current
- 00:2900:29, 31 October 2013 diff hist +233 User:Sam11 No edit summary
- 00:2600:26, 31 October 2013 diff hist 0 N File:-817.96, 5.8778 IR no.2 im fr..gif No edit summary current
- 00:2500:25, 31 October 2013 diff hist +507 User:Sam11 No edit summary
- 00:1100:11, 31 October 2013 diff hist +226 User:Sam11 No edit summary
30 October 2013
- 23:5923:59, 30 October 2013 diff hist +206 User:Sam11 No edit summary
- 23:3223:32, 30 October 2013 diff hist 0 N File:Hartree fock with checked bond lengths optimisation + frequency.mol No edit summary current
- 23:2923:29, 30 October 2013 diff hist +763 User:Sam11 No edit summary
- 23:1323:13, 30 October 2013 diff hist +108 User:Sam11 No edit summary
- 23:0923:09, 30 October 2013 diff hist 0 N File:Started from benzene TS berny HF.mol No edit summary current