User contributions for La409

15 February 2012

• 13:4113:41, 15 February 2012 diff hist 0 N File:La409 butadiene HOMO.jpg No edit summary current
• 13:0413:04, 15 February 2012 diff hist +1,334 Rep:Mod:La409Mod3 →Investigating other parameter changes
• 11:1311:13, 15 February 2012 diff hist +559 Rep:Mod:La409Mod3 →Investigating other parameter changes
• 10:5210:52, 15 February 2012 diff hist +40 Rep:Mod:La409Mod3 →Investigating other parameter changes
• 10:4510:45, 15 February 2012 diff hist +2 Rep:Mod:La409Mod3 →Investigating other parameter changes
• 10:3310:33, 15 February 2012 diff hist +50 Rep:Mod:La409Mod3 →Intrinsic Reaction Coordinate analysis of the structures

14 February 2012

• 15:5415:54, 14 February 2012 diff hist +581 Rep:Mod:La409Mod3 →Diels-Alder Reaction
• 15:4815:48, 14 February 2012 diff hist 0 N File:La409 ButadieneLUMO.JPG No edit summary
• 15:4815:48, 14 February 2012 diff hist 0 N File:La409 ButadieneHOMO.JPG No edit summary
• 15:4115:41, 14 February 2012 diff hist 0 N File:La409 maleic scheme.JPG No edit summary current
• 15:4115:41, 14 February 2012 diff hist 0 N File:La409 butadiels scheme.JPG No edit summary current
• 15:0515:05, 14 February 2012 diff hist +30 Rep:Mod:La409Mod3 No edit summary
• 14:5914:59, 14 February 2012 diff hist +448 Rep:Mod:La409Mod3 →Intrinsic Reaction Coordinate analysis of the structures
• 14:4314:43, 14 February 2012 diff hist 0 N File:La409 IRC Force.jpg No edit summary current
• 14:4314:43, 14 February 2012 diff hist 0 N File:La409 IRC Steps.jpg No edit summary current
• 14:3714:37, 14 February 2012 diff hist +147 Rep:Mod:La409Mod3 →Intrinsic Reaction Coordinate analysis of the structures
• 14:3514:35, 14 February 2012 diff hist 0 N File:La409 IRC stepsizecycles.jpg No edit summary current
• 14:1114:11, 14 February 2012 diff hist +1,345 Rep:Mod:La409Mod3 →Intrinsic Reaction Coordinate analysis of the structures
• 13:1513:15, 14 February 2012 diff hist 0 N File:La409 IRC stepsize.jpg No edit summary
• 13:1313:13, 14 February 2012 diff hist 0 N File:La409 IRC cycles.jpg No edit summary current
• 13:1213:12, 14 February 2012 diff hist +2,291 Rep:Mod:La409Mod3 →Intrinsic Reaction Coordinate analysis of the structures
• 12:4212:42, 14 February 2012 diff hist 0 N File:La409 IRC min.mol No edit summary current
• 12:4212:42, 14 February 2012 diff hist 0 N File:La409 IRC prog.gif No edit summary current
• 12:4212:42, 14 February 2012 diff hist 0 N File:La409 IRC preopt.mol No edit summary current
• 12:3212:32, 14 February 2012 diff hist 0 N File:La409 IRC.jpg No edit summary current
• 11:3311:33, 14 February 2012 diff hist +547 Rep:Mod:La409Mod3 →Intrinsic Reaction Coordinate analysis of the structures
• 11:0411:04, 14 February 2012 diff hist +42 Rep:Mod:La409Mod3 →Steps=50
• 10:0910:09, 14 February 2012 diff hist +97 Rep:Mod:La409Mod3 →Optimising using the QST2 method
• 10:0110:01, 14 February 2012 diff hist +204 Rep:Mod:La409Mod3 No edit summary

13 February 2012

• 11:4411:44, 13 February 2012 diff hist +30 Rep:Mod:La409Mod3 →Boat optimisation
• 11:2111:21, 13 February 2012 diff hist +27 Rep:Mod:La409Mod3 →Optimising using the QST2 method
• 11:2011:20, 13 February 2012 diff hist −18 Rep:Mod:La409Mod3 →Optimising using the QST2 method
• 11:1911:19, 13 February 2012 diff hist +338 Rep:Mod:La409Mod3 →Boat optimisation
• 11:1911:19, 13 February 2012 diff hist 0 N File:La409 boat imagfreq.gif No edit summary current
• 11:1811:18, 13 February 2012 diff hist 0 N File:La409 boat qst2.mol No edit summary current
• 11:1411:14, 13 February 2012 diff hist 0 N File:La409 boat qst2.JPG No edit summary current
• 11:0811:08, 13 February 2012 diff hist +1,036 Rep:Mod:La409Mod3 →Optimising using the QST2 method

12 February 2012

• 17:5117:51, 12 February 2012 diff hist +1,568 Rep:Mod:La409Mod3 →Boat optimisation
• 17:3717:37, 12 February 2012 diff hist 0 N File:La409 boat error.JPG No edit summary current
• 17:0217:02, 12 February 2012 diff hist +18 Rep:Mod:La409Mod3 →The Cope Rearrangement
• 17:0217:02, 12 February 2012 diff hist +7 Rep:Mod:La409Mod3 →Boat optimisation
• 16:5716:57, 12 February 2012 diff hist +90 Rep:Mod:La409Mod3 →Boat optimisation
• 16:5216:52, 12 February 2012 diff hist 0 N File:La409 boat labelling.jpg No edit summary current
• 16:4716:47, 12 February 2012 diff hist +1,003 Rep:Mod:La409Mod3 →Chair optimisation
• 16:2716:27, 12 February 2012 diff hist 0 N File:La409 chair redun.mol No edit summary current
• 16:2616:26, 12 February 2012 diff hist −2 Rep:Mod:La409Mod3 →Optimising under frozen redundant coordinates
• 16:1516:15, 12 February 2012 diff hist −36 Rep:Mod:La409Mod3 →Optimising to a Transition State (Berny)
• 16:1416:14, 12 February 2012 diff hist +3,574 Rep:Mod:La409Mod3 →The Transition State
• 15:1915:19, 12 February 2012 diff hist 0 File:La409 chair berny.jpg uploaded a new version of "File:La409 chair berny.jpg" current
• 15:1215:12, 12 February 2012 diff hist 0 N File:La409 chair vib.gif No edit summary current