User contributions for Ypl07
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26 March 2010
- 16:0416:04, 26 March 2010 diff hist +30 Rep:Mod3:ypl07 The Transition State →g) Frequencies of anti-2-1,5-hexadiene
- 16:0316:03, 26 March 2010 diff hist −2 Rep:Mod3:ypl07 The Transition State →f) Second optimisation of anti-2-1,5-hexadiene using DFT/B3LYP/6-31G*
- 15:5915:59, 26 March 2010 diff hist −1 Rep:Mod3:ypl07 The Transition State →e) Optimisation of the Ci anti2 conformation of 1,5-hexadiene
- 15:5815:58, 26 March 2010 diff hist 0 Rep:Mod3:ypl07 The Transition State →b) First optimisation of gauche-1,5-hexadiene
- 15:5515:55, 26 March 2010 diff hist +4 Rep:Mod3:ypl07 The Transition State →The Cope Rearrangement
- 15:5515:55, 26 March 2010 diff hist −13 Rep:Mod3:ypl07 The Transition State →The Cope Rearrangement
- 15:3515:35, 26 March 2010 diff hist +7 Rep:Mod3:ypl07 The Transition State →g) Activation energy analysis
- 15:3415:34, 26 March 2010 diff hist +9 Rep:Mod3:ypl07 The Transition State →g) Activation energy analysis
- 15:3315:33, 26 March 2010 diff hist −5 Rep:Mod3:ypl07 The Transition State →g) Activation energy analysis
- 15:3215:32, 26 March 2010 diff hist +85 Rep:Mod3:ypl07 The Transition State →g) Activation energy analysis
- 15:3115:31, 26 March 2010 diff hist +2 Rep:Mod3:ypl07 The Transition State No edit summary
- 15:3115:31, 26 March 2010 diff hist +26 Rep:Mod3:ypl07 The Transition State No edit summary
- 15:3015:30, 26 March 2010 diff hist +15 Rep:Mod3:ypl07 The Transition State No edit summary
- 15:2715:27, 26 March 2010 diff hist +493 Rep:Mod3:ypl07 The Transition State →g) Activation energy analysis
- 15:2015:20, 26 March 2010 diff hist +4 Rep:Mod3:ypl07 The Transition State →g) Activation energy analysis
- 15:1915:19, 26 March 2010 diff hist 0 N File:Ypl07rxnpathway.png No edit summary current
- 15:1915:19, 26 March 2010 diff hist +30 Rep:Mod3:ypl07 The Transition State →g) Activation energy analysis
- 14:3314:33, 26 March 2010 diff hist +206 Rep:Mod3:ypl07 The Transition State →g) Activation energy analysis
- 14:3014:30, 26 March 2010 diff hist 0 N File:Ypl07boattshffreq.log No edit summary current
- 14:2414:24, 26 March 2010 diff hist 0 N File:Ypl07boattsb3ylpfreq.log No edit summary current
- 14:2414:24, 26 March 2010 diff hist 0 N File:Ypl07chairtsb3ylpfreq.log No edit summary current
- 14:2314:23, 26 March 2010 diff hist 0 N File:Ypl07chairtshffreq.log No edit summary current
- 14:2314:23, 26 March 2010 diff hist 0 N File:Ypl07anti2b3ylpfreq.log No edit summary current
- 14:2214:22, 26 March 2010 diff hist 0 N File:Ypl07anti2hffreq.log No edit summary current
- 14:2114:21, 26 March 2010 diff hist +197 Rep:Mod3:ypl07 The Transition State →g) Activation energy analysis
- 14:2014:20, 26 March 2010 diff hist +450 Rep:Mod3:ypl07 The Transition State →g) Activation energy analysis
- 14:1514:15, 26 March 2010 diff hist 0 N File:Ypl07anti2b3ylp.log No edit summary current
- 14:1514:15, 26 March 2010 diff hist 0 N File:Ypl07anti2hf.log No edit summary current
- 14:0714:07, 26 March 2010 diff hist 0 N File:Ypl07chairtsb3ylp.log No edit summary current
- 14:0614:06, 26 March 2010 diff hist 0 N File:Ypl07chairtshf.log No edit summary current
- 14:0614:06, 26 March 2010 diff hist 0 N File:Ypl07boattsb3ylp.log No edit summary current
- 14:0514:05, 26 March 2010 diff hist 0 N File:Ypl07boattshf.log No edit summary current
- 14:0414:04, 26 March 2010 diff hist +131 Rep:Mod3:ypl07 The Transition State →g) Activation energy analysis
- 14:0314:03, 26 March 2010 diff hist +24 Rep:Mod3:ypl07 The Transition State →g) Activation energy analysis
- 14:0214:02, 26 March 2010 diff hist +67 Rep:Mod3:ypl07 The Transition State →Boat TS IRC
- 14:0014:00, 26 March 2010 diff hist +4 Rep:Mod3:ypl07 The Transition State →Boat TS IRC
- 14:0014:00, 26 March 2010 diff hist 0 Rep:Mod3:ypl07 The Transition State →Boat TS IRC
- 13:5913:59, 26 March 2010 diff hist +64 Rep:Mod3:ypl07 The Transition State →Boat TS IRC
- 13:5813:58, 26 March 2010 diff hist +310 Rep:Mod3:ypl07 The Transition State →Boat TS IRC
- 13:5413:54, 26 March 2010 diff hist +609 Rep:Mod3:ypl07 The Transition State →Chair TS IRC
- 13:4113:41, 26 March 2010 diff hist +142 Rep:Mod3:ypl07 The Transition State →Chair TS IRC
- 13:3613:36, 26 March 2010 diff hist +165 Rep:Mod3:ypl07 The Transition State →f) Analysis of the corrosponding reactants for each TS by IRC method
- 13:1613:16, 26 March 2010 diff hist +420 Rep:Mod3:ypl07 The Transition State →f) Analysis of the corrosponding reactants for each TS by IRC method
- 13:1313:13, 26 March 2010 diff hist +1 Rep:Mod3:ypl07 The Transition State →Chair TS IRC
- 13:1113:11, 26 March 2010 diff hist +1 Rep:Mod3:ypl07 The Transition State →e) Optimisation of boat TS structure using QST2 method
- 13:0813:08, 26 March 2010 diff hist +178 Rep:Mod3:ypl07 The Transition State →e) Optimisation of boat TS structure using QST2 method
- 13:0013:00, 26 March 2010 diff hist +192 Rep:Mod3:ypl07 The Transition State →d) Optimisation of unfrozen chair TS structure
- 12:5512:55, 26 March 2010 diff hist +31 Rep:Mod3:ypl07 The Transition State →c) Optimisation of chair TS structure with freeze coordinate
- 12:4812:48, 26 March 2010 diff hist +1 Rep:Mod3:ypl07 The Transition State →b) Optimisation and frequency analysis of guessed chair TS strucutre
- 12:4812:48, 26 March 2010 diff hist +85 Rep:Mod3:ypl07 The Transition State →b) Optimisation and frequency analysis of guessed chair TS strucutre