User contributions for Ypl07
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26 March 2010
- 12:4412:44, 26 March 2010 diff hist −1 Rep:Mod3:ypl07 The Transition State →g) Frequencies of anti-2-1,5-hexadiene
- 12:4412:44, 26 March 2010 diff hist −30 Rep:Mod3:ypl07 The Transition State →g) Frequencies of anti-2-1,5-hexadiene
- 12:4312:43, 26 March 2010 diff hist −36 Rep:Mod3:ypl07 The Transition State →f) Second optimisation of anti-2-1,5-hexadiene using DFT/B3LYP/6-31G*
- 12:4212:42, 26 March 2010 diff hist 0 N File:Ypl07DFTanti2.log No edit summary current
- 12:4012:40, 26 March 2010 diff hist +4 Rep:Mod3:ypl07 The Transition State →g) Frequencies of anti-2-1,5-hexadiene
- 12:3912:39, 26 March 2010 diff hist −1 Rep:Mod3:ypl07 The Transition State →f) Second optimisation of anti-2-1,5-hexadiene using DFT/B3LYP/6-31G*
- 12:3912:39, 26 March 2010 diff hist +10 Rep:Mod3:ypl07 The Transition State →f) Second optimisation of anti-2-1,5-hexadiene using DFT/B3LYP/6-31G*
- 12:3712:37, 26 March 2010 diff hist +59 Rep:Mod3:ypl07 The Transition State →f) Second optimisation of anti-2-1,5-hexadiene using DFT/B3LYP/6-31G*
- 12:3512:35, 26 March 2010 diff hist +322 Rep:Mod3:ypl07 The Transition State →f) Second optimisation of anti-2-1,5-hexadiene using DFT/B3LYP/6-31G*
- 12:3212:32, 26 March 2010 diff hist 0 N File:Ypl07newmandiagram.jpg No edit summary current
- 09:2609:26, 26 March 2010 diff hist +6 Rep:Mod3:ypl07 The Transition State →f) Second optimisation of anti-2-1,5-hexadiene using DFT/B3LYP/6-31G*
- 09:2509:25, 26 March 2010 diff hist +130 Rep:Mod3:ypl07 The Transition State →g) Frequencies of anti-2-1,5-hexadiene
- 09:2409:24, 26 March 2010 diff hist +122 Rep:Mod3:ypl07 The Transition State →f) Second optimisation of anti-2-1,5-hexadiene using DFT/B3LYP/6-31G*
- 09:2109:21, 26 March 2010 diff hist +706 Rep:Mod3:ypl07 The Transition State →f) Second optimisation of anti-2-1,5-hexadiene using DFT/B3LYP/6-31G*
- 09:0709:07, 26 March 2010 diff hist +94 Rep:Mod3:ypl07 The Transition State →c) Hypothesis of lowest conformer
- 09:0609:06, 26 March 2010 diff hist +322 Rep:Mod3:ypl07 The Transition State →c) Hypothesis of lowest conformer
- 09:0009:00, 26 March 2010 diff hist −5 Rep:Mod3:ypl07 The Transition State →b) First optimisation of gauche-1,5-hexadiene
- 09:0009:00, 26 March 2010 diff hist −4 Rep:Mod3:ypl07 The Transition State →a) First optimisation of anti-1,5-hexadiene
25 March 2010
- 20:3320:33, 25 March 2010 diff hist 0 N File:Ypl07ircboat.mol No edit summary current
- 20:3220:32, 25 March 2010 diff hist 0 N File:Ypl07ircchairfc.mol No edit summary current
- 20:3020:30, 25 March 2010 diff hist 0 N File:Ypl07ircchairopt.mol No edit summary current
- 20:2920:29, 25 March 2010 diff hist 0 N File:Ypl07ircchairn100.mol No edit summary current
- 20:0920:09, 25 March 2010 diff hist +413 Rep:Mod3:ypl07 The Transition State →Chair TS IRC
- 20:0620:06, 25 March 2010 diff hist +2 Rep:Mod3:ypl07 The Transition State →Chair TS IRC
- 20:0620:06, 25 March 2010 diff hist +132 Rep:Mod3:ypl07 The Transition State →Chair TS IRC
- 20:0620:06, 25 March 2010 diff hist +21 Rep:Mod3:ypl07 The Transition State →Chair TS IRC
- 20:0120:01, 25 March 2010 diff hist +28 Rep:Mod3:ypl07 The Transition State →Chair TS IRC
- 19:5919:59, 25 March 2010 diff hist 0 N File:Ypl07chairircopt.log No edit summary current
- 19:5819:58, 25 March 2010 diff hist 0 N File:Ypl07chairircopt.gjf No edit summary current
- 19:5819:58, 25 March 2010 diff hist +1 Rep:Mod3:ypl07 The Transition State →Chair TS IRC
- 19:5719:57, 25 March 2010 diff hist +26 Rep:Mod3:ypl07 The Transition State →Boat TS IRC
- 19:5119:51, 25 March 2010 diff hist +8 Rep:Mod3:ypl07 The Transition State →Boat TS IRC
- 19:5119:51, 25 March 2010 diff hist 0 N File:Ypl07ircboatopt.mol No edit summary current
- 19:5019:50, 25 March 2010 diff hist 0 N File:Ypl07boatircgraph.jpg No edit summary current
- 19:5019:50, 25 March 2010 diff hist +91 Rep:Mod3:ypl07 The Transition State →Boat TS IRC
- 18:2718:27, 25 March 2010 diff hist +12 Rep:Mod3:ypl07 The Transition State →Boat TS IRC
- 18:2418:24, 25 March 2010 diff hist +76 Rep:Mod3:ypl07 The Transition State →Boat TS IRC
- 18:1918:19, 25 March 2010 diff hist −55 Rep:Mod3:ypl07 The Transition State →Boat TS IRC
- 18:1818:18, 25 March 2010 diff hist +321 Rep:Mod3:ypl07 The Transition State →Boat TS IRC
- 18:1518:15, 25 March 2010 diff hist +516 Rep:Mod3:ypl07 The Transition State →Boat TS IRC
- 17:5217:52, 25 March 2010 diff hist +153 Rep:Mod3:ypl07 The Transition State →f) Analysis of the corrosponding reactants for each TS by IRC method
- 17:4917:49, 25 March 2010 diff hist −1 Rep:Mod3:ypl07 The Transition State →f) Analysis of the corrosponding reactants for each TS by IRC method
- 16:2316:23, 25 March 2010 diff hist +159 Rep:Mod3:ypl07 The Transition State →g) Activation energy analysis
- 15:4715:47, 25 March 2010 diff hist +1 Rep:Mod3:ypl07 The Transition State →g) Activation energy analysis
- 15:4615:46, 25 March 2010 diff hist 0 Rep:Mod3:ypl07 The Transition State →g) Activation energy analysis
- 15:4415:44, 25 March 2010 diff hist 0 Rep:Mod3:ypl07 The Transition State →g) Activation energy analysis
- 15:2915:29, 25 March 2010 diff hist +32 Rep:Mod3:ypl07 The Transition State →g) Activation energy analysis
- 13:2513:25, 25 March 2010 diff hist +95 Rep:Mod3:ypl07 The Transition State →g) Activation energy analysis
- 13:1513:15, 25 March 2010 diff hist +33 Rep:Mod3:ypl07 The Transition State →g) Activation energy analysis
- 13:0213:02, 25 March 2010 diff hist +33 Rep:Mod3:ypl07 The Transition State →g) Activation energy analysis