User contributions for Yh2711

14 November 2013

• 15:5015:50, 14 November 2013 diff hist 0 N File:6-31energy 2.PNG No edit summary current
• 15:3815:38, 14 November 2013 diff hist +54 Rep:Mod:yuqi1993 →Week 1: Compulsory Section
• 15:3715:37, 14 November 2013 diff hist +25 Rep:Mod:yuqi1993 →Optimized BH3 with better basis set
• 15:3715:37, 14 November 2013 diff hist +71 Rep:Mod:yuqi1993 →Week 1: Compulsory Section
• 15:3515:35, 14 November 2013 diff hist +175 Rep:Mod:yuqi1993 →Week 1: Compulsory Section
• 15:1615:16, 14 November 2013 diff hist +290 Rep:Mod:yuqi1993 →Analysing the optimised BH3 molecule with basis set: 3-21G
• 15:1315:13, 14 November 2013 diff hist 0 N File:Understanding optimisation part a.PNG No edit summary current
• 14:5814:58, 14 November 2013 diff hist +13 Rep:Mod:yuqi1993 →Week 1: Compulsory Section
• 14:5014:50, 14 November 2013 diff hist −16 Rep:Mod:yuqi1993 →Day 1- Day2
• 14:5014:50, 14 November 2013 diff hist −9 Rep:Mod:yuqi1993 →Day 1- Day2
• 14:5014:50, 14 November 2013 diff hist +209 Rep:Mod:yuqi1993 No edit summary
• 14:4914:49, 14 November 2013 diff hist 0 N File:BH3-ASY-mol.mol No edit summary current
• 14:4614:46, 14 November 2013 diff hist −1 Rep:Mod:yuqi1993 →Analysing the optimised BH3 molecule with basis set: 3-21G
• 14:4514:45, 14 November 2013 diff hist +8 Rep:Mod:yuqi1993 →Analysing the optimised BH3 molecule with basis set: 3-21G
• 14:4514:45, 14 November 2013 diff hist +1 Rep:Mod:yuqi1993 →Week 1: Compulsory Section
• 14:4514:45, 14 November 2013 diff hist +11 Rep:Mod:yuqi1993 →Analysing the optimised BH3 molecule with basis set: 3-21G
• 14:4414:44, 14 November 2013 diff hist +4 Rep:Mod:yuqi1993 →Day 1- Day2
• 14:4414:44, 14 November 2013 diff hist −205 Rep:Mod:yuqi1993 No edit summary
• 14:4114:41, 14 November 2013 diff hist 0 N File:3-21-totaly-energy.PNG No edit summary current
• 14:2914:29, 14 November 2013 diff hist +317 Rep:Mod:yuqi1993 →Week 1: Compulsory Section
• 14:2114:21, 14 November 2013 diff hist −1 Rep:Mod:yuqi1993 →Week 1: Compulsory Section
• 14:2014:20, 14 November 2013 diff hist +371 Rep:Mod:yuqi1993 No edit summary

13 November 2013

• 16:3816:38, 13 November 2013 diff hist +1 Rep:Mod:yuqi1993 No edit summary
• 16:3816:38, 13 November 2013 diff hist +2,151 Rep:Mod:yuqi1993 No edit summary
• 15:5215:52, 13 November 2013 diff hist −30 Rep:Mod:yuqi1993 No edit summary
• 15:5015:50, 13 November 2013 diff hist +68 Rep:Mod:yuqi1993 No edit summary
• 15:5015:50, 13 November 2013 diff hist 0 N File:BH3-321-631.LOG No edit summary current
• 15:4715:47, 13 November 2013 diff hist +31 Rep:Mod:yuqi1993 No edit summary
• 15:4515:45, 13 November 2013 diff hist 0 N File:BH3-ASY.LOG No edit summary current
• 15:4415:44, 13 November 2013 diff hist −4 Rep:Mod:yuqi1993 No edit summary
• 15:4415:44, 13 November 2013 diff hist +3,099 Rep:Mod:yuqi1993 No edit summary
• 13:4313:43, 13 November 2013 diff hist +205 Rep:Mod:yuqi1993 No edit summary
• 11:4411:44, 13 November 2013 diff hist +1 Rep:Mod:yuqi1993 No edit summary
• 11:4111:41, 13 November 2013 diff hist +26 Rep:Mod:yuqi1993 No edit summary
• 11:3911:39, 13 November 2013 diff hist +27 Rep:Mod:yuqi1993 No edit summary

12 November 2013

• 15:3515:35, 12 November 2013 diff hist +1,554 Rep:Mod:yuqi1993 No edit summary
• 15:0215:02, 12 November 2013 diff hist −17 Rep:Mod:yuqi1993 No edit summary
• 15:0115:01, 12 November 2013 diff hist +18 Rep:Mod:yuqi1993 No edit summary
• 14:5914:59, 12 November 2013 diff hist −12 Rep:Mod:yuqi1993 No edit summary
• 14:5914:59, 12 November 2013 diff hist +12 Rep:Mod:yuqi1993 No edit summary
• 14:5714:57, 12 November 2013 diff hist +6 Rep:Mod:yuqi1993 No edit summary
• 14:5714:57, 12 November 2013 diff hist +7 Rep:Mod:yuqi1993 No edit summary
• 14:5614:56, 12 November 2013 diff hist +1,518 N Rep:Mod:yuqi1993 Created page with " Item Value Threshold Converged? Maximum Force 0.000220 0.000450 YES RMS Force 0.000106 0.000300 YES Maximum Disp..."

1 November 2013

• 23:1523:15, 1 November 2013 diff hist +13 Rep:Mod:yukiching →References
• 23:1423:14, 1 November 2013 diff hist +25 Rep:Mod:yukiching →References
• 23:1323:13, 1 November 2013 diff hist +12 Rep:Mod:yukiching →Suggesting new candidates for investigations
• 23:1223:12, 1 November 2013 diff hist +15 Rep:Mod:yukiching →Suggesting new candidates for investigations
• 23:1223:12, 1 November 2013 diff hist +2 Rep:Mod:yukiching →Investigating the Electronic topology (QTAIM) in the active-site of the reaction transition state
• 23:1123:11, 1 November 2013 diff hist +176 Rep:Mod:yukiching No edit summary
• 23:0823:08, 1 November 2013 diff hist +103 Rep:Mod:yukiching →Suggesting new candidates for investigations