User contributions for Wd812

9 November 2014

• 16:2516:25, 9 November 2014 diff hist −36 User:Wd812 →The "Chair" Transition Structrue
• 16:2116:21, 9 November 2014 diff hist +223 User:Wd812 →The "Chair" Transition Structrue
• 16:1716:17, 9 November 2014 diff hist 0 N File:Optimized d).PNG No edit summary
• 16:1716:17, 9 November 2014 diff hist 0 N File:Optimized b).PNG No edit summary
• 16:0516:05, 9 November 2014 diff hist +27 User:Wd812 →The "Chair" Transition Structrue
• 16:0316:03, 9 November 2014 diff hist 0 N File:C)redundant coordinat setting.PNG No edit summary current
• 16:0116:01, 9 November 2014 diff hist 0 N File:D)differenciation(opt+fqc).mol No edit summary current
• 15:4215:42, 9 November 2014 diff hist +372 User:Wd812 →The "Chair" Transition Structrue
• 15:3815:38, 9 November 2014 diff hist 0 N File:B)opt=tsAnimation.gif No edit summary current
• 15:3715:37, 9 November 2014 diff hist 0 N File:B)IR opt=ts.PNG No edit summary current
• 15:3415:34, 9 November 2014 diff hist 0 File:B)OPT=TSFREQUENCY.LOG Wd812 uploaded a new version of "File:B)OPT=TSFREQUENCY.LOG" current
• 15:3215:32, 9 November 2014 diff hist +594 User:Wd812 →The "Chair" Transition Structrue
• 15:0915:09, 9 November 2014 diff hist 0 User:Wd812 →Energy calculation and Stability Discussion
• 15:0715:07, 9 November 2014 diff hist +315 User:Wd812 →Energy calculation and Stability Discussion
• 15:0315:03, 9 November 2014 diff hist +1,348 User:Wd812 →Energy calculation
• 14:3014:30, 9 November 2014 diff hist −3 User:Wd812 →The "Chair" Transition Structrue
• 14:1514:15, 9 November 2014 diff hist 0 User:Wd812 →The "chair" transition structrue
• 14:1414:14, 9 November 2014 diff hist +19 User:Wd812 →Frequency and IR check
• 14:1214:12, 9 November 2014 diff hist +216 User:Wd812 →Frequency and IR check
• 14:0814:08, 9 November 2014 diff hist 0 File:IR631Ganti2fcq.PNG Wd812 uploaded a new version of "File:IR631Ganti2fcq.PNG" current
• 14:0714:07, 9 November 2014 diff hist −78 User:Wd812 →Frequency and IR check
• 14:0614:06, 9 November 2014 diff hist 0 N File:631ANTI2FCQ.LOG No edit summary current
• 14:0214:02, 9 November 2014 diff hist +363 User:Wd812 →Energy calculation
• 13:5613:56, 9 November 2014 diff hist +42 User:Wd812 →Optimize 'anti2' molecule at B3LYP/6-31G* level
• 13:5513:55, 9 November 2014 diff hist +3 User:Wd812 →Optimize 'anti2' molecule at B3LYP/6-31G* level
• 13:5413:54, 9 November 2014 diff hist +6 User:Wd812 →Optimize 'anti2' molecule at B3LYP/6-31G* level
• 13:5413:54, 9 November 2014 diff hist +202 User:Wd812 →Optimize 'anti2' molecule at B3LYP/6-31G* level
• 13:5013:50, 9 November 2014 diff hist −108 User:Wd812 →Optimize 'anti2' molecule at B3LYP/6-31G* level
• 13:5013:50, 9 November 2014 diff hist 0 File:Anti2higherlevel.mol Wd812 uploaded a new version of "File:Anti2higherlevel.mol" current
• 13:4913:49, 9 November 2014 diff hist 0 File:Hexadiene (anti1).mol Wd812 uploaded a new version of "File:Hexadiene (anti1).mol" current
• 13:4413:44, 9 November 2014 diff hist 0 N File:631ANTI2.LOG No edit summary current
• 13:4313:43, 9 November 2014 diff hist 0 N File:321ANTI2.LOG No edit summary current
• 12:3212:32, 9 November 2014 diff hist +145 User:Wd812 →Optimize 'anti2' molecule at B3LYP/6-31G* level
• 12:2412:24, 9 November 2014 diff hist 0 N File:631anti2.PNG No edit summary current
• 12:2112:21, 9 November 2014 diff hist 0 N File:321anti2.PNG No edit summary current
• 12:1512:15, 9 November 2014 diff hist −123 User:Wd812 →Optimize 'anti2' molecule using B3LYP/6-31G*
• 11:5211:52, 9 November 2014 diff hist −11 User:Wd812 →Optimisation using HF3-21G basis set
• 11:4711:47, 9 November 2014 diff hist −761 User:Wd812 →Optimisation using HF3-21G basis set
• 11:3911:39, 9 November 2014 diff hist +133 User:Wd812 →Energy calculation
• 11:3711:37, 9 November 2014 diff hist +23 User:Wd812 →Energy calculation
• 11:3611:36, 9 November 2014 diff hist +4 User:Wd812 →Energy calculation
• 11:3511:35, 9 November 2014 diff hist +42 User:Wd812 →Energy calculation
• 11:3011:30, 9 November 2014 diff hist 0 User:Wd812 →Energy calculation
• 11:2811:28, 9 November 2014 diff hist +1 User:Wd812 →Optimisation using HF3-21G basis set
• 11:2711:27, 9 November 2014 diff hist +45 User:Wd812 →Optimizing the Reacants and Products
• 11:2611:26, 9 November 2014 diff hist −152 User:Wd812 →Optimizing the Reacants and Products
• 11:2111:21, 9 November 2014 diff hist −84 User:Wd812 →Energy calculation
• 11:2111:21, 9 November 2014 diff hist +58 User:Wd812 →Energy calculation
• 11:0611:06, 9 November 2014 diff hist +18 User:Wd812 →Energy calculation
• 10:1010:10, 9 November 2014 diff hist +391 User:Wd812 →Diels Alder reaction study