User contributions for Ypl07
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23 March 2010
- 14:2514:25, 23 March 2010 diff hist +28 Rep:Mod3:ypl07 The Transition State →a) Optimisation of CH<sub>2</sub>CHCH<sub>2</sub> and create a guessed TS structure
- 14:2414:24, 23 March 2010 diff hist 0 N File:Ypl07CH2CHCH2 OPT1.LOG No edit summary current
- 13:5713:57, 23 March 2010 diff hist +662 Rep:Mod3:ypl07 The Transition State →a)
22 March 2010
- 20:2020:20, 22 March 2010 diff hist +77 Rep:Mod3:ypl07 The Transition State →Optimisation of the "Chair" and "Boat" Transition Structures
- 20:1820:18, 22 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*
- 20:1820:18, 22 March 2010 diff hist +10 Rep:Mod3:ypl07 The Transition State →g) Frequencies of anti-2-1,5-hexadiene
- 20:1520:15, 22 March 2010 diff hist +5 Rep:Mod3:ypl07 The Transition State →g) Frequencies of anti-2-1,5-hexadiene
- 20:1420:14, 22 March 2010 diff hist −632 Rep:Mod3:ypl07 The Transition State →g) Frequencies of anti-2-1,5-hexadiene
- 20:1420:14, 22 March 2010 diff hist +1,129 Rep:Mod3:ypl07 The Transition State →g) Frequencies of anti-2-1,5-hexadiene
- 20:1020:10, 22 March 2010 diff hist +1 Rep:Mod3:ypl07 The Transition State →c) Hypothesis of lowest conformer
- 20:0920:09, 22 March 2010 diff hist +3 Rep:Mod3:ypl07 The Transition State →c) Hypothesis of lowest conformer
- 20:0720:07, 22 March 2010 diff hist −163 Rep:Mod3:ypl07 The Transition State →g) Frequencies of anti-2-1,5-hexadiene
- 20:0720:07, 22 March 2010 diff hist +282 Rep:Mod3:ypl07 The Transition State →g) Frequencies of anti-2-1,5-hexadiene
- 20:0620:06, 22 March 2010 diff hist +165 Rep:Mod3:ypl07 The Transition State →g) Frequencies of anti-2-1,5-hexadiene
- 20:0520:05, 22 March 2010 diff hist +102 Rep:Mod3:ypl07 The Transition State →g) Frequencies of anti-2-1,5-hexadiene
- 20:0420:04, 22 March 2010 diff hist −1,822 Rep:Mod3:ypl07 The Transition State →The Cope Rearrangement
- 20:0420:04, 22 March 2010 diff hist +37 Rep:Mod3:ypl07 The Transition State →g)
- 20:0120:01, 22 March 2010 diff hist +12 Rep:Mod3:ypl07 The Transition State →f)Second optimisation of anti-2-1,5-hexadiene using DFT/B3LYP/6-31G*
- 20:0020:00, 22 March 2010 diff hist +258 Rep:Mod3:ypl07 The Transition State →f)Second optimisation of anti-2-1,5-hexadiene using DFT/B3LYP/6-31G*
- 19:5519:55, 22 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*
- 19:5519:55, 22 March 2010 diff hist +956 Rep:Mod3:ypl07 The Transition State →f)Second optimisation of anti-2-1,5-hexadiene using DFT/B3LYP/6-31G*
- 19:5419:54, 22 March 2010 diff hist +69 Rep:Mod3:ypl07 The Transition State →f)
- 19:5319:53, 22 March 2010 diff hist +151 Rep:Mod3:ypl07 The Transition State →e)
- 19:5119:51, 22 March 2010 diff hist +243 Rep:Mod3:ypl07 The Transition State →d) Identification of optimised strucutre
- 19:4919:49, 22 March 2010 diff hist +39 Rep:Mod3:ypl07 The Transition State →d)
- 19:4819:48, 22 March 2010 diff hist +1 Rep:Mod3:ypl07 The Transition State →a) First optimisation of anti-1,5-hexadiene
- 19:4619:46, 22 March 2010 diff hist +10 Rep:Mod3:ypl07 The Transition State →c) Hypothesis of lowest conformer
- 19:4419:44, 22 March 2010 diff hist +35 Rep:Mod3:ypl07 The Transition State →c) Hypothesis of lowest conformer
- 19:4319:43, 22 March 2010 diff hist +1 Rep:Mod3:ypl07 The Transition State →c) Hypothesis of lowest conformer
- 19:4119:41, 22 March 2010 diff hist +472 Rep:Mod3:ypl07 The Transition State →c)
- 19:3219:32, 22 March 2010 diff hist +10 Rep:Mod3:ypl07 The Transition State →b) First optimisation of gauche-1,5-hexadiene
- 19:3219:32, 22 March 2010 diff hist +5 Rep:Mod3:ypl07 The Transition State →a) First optimisation of anti-1,5-hexadiene
- 19:3219:32, 22 March 2010 diff hist +5 Rep:Mod3:ypl07 The Transition State →a) First optimisation of anti-1,5-hexadiene
- 19:3219:32, 22 March 2010 diff hist +1 Rep:Mod3:ypl07 The Transition State →b) First optimisation of gauche-1,5-hexadiene
- 19:3219:32, 22 March 2010 diff hist +1 Rep:Mod3:ypl07 The Transition State →a) First optimisation of anti-1,5-hexadiene
- 19:3119:31, 22 March 2010 diff hist +1 Rep:Mod3:ypl07 The Transition State →b) First optimisation of gauche-1,5-hexadiene
- 19:3119:31, 22 March 2010 diff hist 0 N File:Ypl07 b gauche1.log No edit summary current
- 19:3019:30, 22 March 2010 diff hist +122 Rep:Mod3:ypl07 The Transition State →b) First optimisation of gauche-1,5-hexadiene
- 19:2919:29, 22 March 2010 diff hist +136 Rep:Mod3:ypl07 The Transition State →b)
- 19:2819:28, 22 March 2010 diff hist +41 Rep:Mod3:ypl07 The Transition State →a) First optimisation of anti-1,5-hexadiene
- 19:2719:27, 22 March 2010 diff hist −3 Rep:Mod3:ypl07 The Transition State →a)First optimisation of anti-1,5-hexadiene
- 19:2719:27, 22 March 2010 diff hist +4 Rep:Mod3:ypl07 The Transition State →a)First optimisation of anti-1,5-hexadiene
- 19:2619:26, 22 March 2010 diff hist +1,020 Rep:Mod3:ypl07 The Transition State →The Cope Rearrangement
- 19:2519:25, 22 March 2010 diff hist 0 N File:Ypl07 a Anti1.log No edit summary current
- 19:1219:12, 22 March 2010 diff hist −217 Rep:Mod3:ypl07 The Transition State →The Diels Alder Cycloaddition
- 19:1119:11, 22 March 2010 diff hist −125 Rep:Mod3:ypl07 The Transition State →The Diels Alder Cycloaddition
- 19:1119:11, 22 March 2010 diff hist −9 Rep:Mod3:ypl07 The Transition State →The Cope Rearrangement Tutorial
18 March 2010
- 15:5915:59, 18 March 2010 diff hist +54 Rep:Mod3:ypl07 The Transition State →Higher theory level comparison
- 15:5815:58, 18 March 2010 diff hist +238 Rep:Mod3:ypl07 The Transition State →Higher theory level comparison
- 15:4515:45, 18 March 2010 diff hist +8 Rep:Mod3:ypl07 The Transition State →Higher theory level comparison