User contributions for Mdf14
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15 November 2016
- 13:3713:37, 15 November 2016 diff hist 0 File:MDF DA TS OPTB3LYP vib.mol2 Mdf14 uploaded a new version of File:MDF DA TS OPTB3LYP vib.mol2 current
- 13:3213:32, 15 November 2016 diff hist +39 N File:MDF vibration DA ethene.jpg right illustration vibration ex1. mdf15 current
- 13:2213:22, 15 November 2016 diff hist +36 N File:MDF vibration imgfrequ ex1.png illustration of vibration ex1. mdf14 current
- 10:3810:38, 15 November 2016 diff hist +1 Rep:Mod:CW Transitionstates MF →The change of the bond lengths over the course of the reaction
- 10:3510:35, 15 November 2016 diff hist +5 Rep:Mod:CW Transitionstates MF →The Diels Alder reaction of butadiene with ethene
- 10:3110:31, 15 November 2016 diff hist +46 Rep:Mod:CW Transitionstates MF →Combined orbitals of ethene and butadiene
- 10:2910:29, 15 November 2016 diff hist +20 Rep:Mod:CW Transitionstates MF →Butadiene
- 10:2410:24, 15 November 2016 diff hist 0 Rep:Mod:CW Transitionstates MF →Ethene
- 10:2310:23, 15 November 2016 diff hist +52 Rep:Mod:CW Transitionstates MF →The energy profile of the reaction
- 10:2310:23, 15 November 2016 diff hist +945 Rep:Mod:CW Transitionstates MF →MO diagram of the transition state
- 10:1010:10, 15 November 2016 diff hist +305 Rep:Mod:CW Transitionstates MF →The Diels Alder reaction of butadiene with ethene
- 10:0410:04, 15 November 2016 diff hist +166 Rep:Mod:CW Transitionstates MF →The Diels Alder reaction of butadiene with ethene
- 10:0210:02, 15 November 2016 diff hist +34 N File:MDF IRC ex1.png IRC picture ethene butadiene mdf14 current
- 09:5609:56, 15 November 2016 diff hist +44 N File:MDF IRC PM6 DA.pdf IRC screenshot ethene butadiene react. mdf14 current
14 November 2016
- 17:4517:45, 14 November 2016 diff hist +23 Rep:Mod:CW Transitionstates MF →Two possible reactions between o-Xylylene and SO2
- 17:4417:44, 14 November 2016 diff hist +73 Rep:Mod:CW Transitionstates MF →The Diels Alder reaction between cyclopentadiene and bezoquinone
- 17:4117:41, 14 November 2016 diff hist +9 Rep:Mod:CW Transitionstates MF →Secondary orbital interaction
- 17:3917:39, 14 November 2016 diff hist +722 Rep:Mod:CW Transitionstates MF →Energy barriers
- 17:2917:29, 14 November 2016 diff hist +8 Rep:Mod:CW Transitionstates MF →Energy barriers
- 16:5116:51, 14 November 2016 diff hist +9 Rep:Mod:CW Transitionstates MF →Energy barriers
- 16:4716:47, 14 November 2016 diff hist +8 Rep:Mod:CW Transitionstates MF →Energy barriers
- 16:4416:44, 14 November 2016 diff hist +365 Rep:Mod:CW Transitionstates MF →Secondary orbital interaction
- 16:3616:36, 14 November 2016 diff hist +302 Rep:Mod:CW Transitionstates MF →The Diels Alder reaction between cyclopentadiene and bezoquinone
- 16:3516:35, 14 November 2016 diff hist +62 Rep:Mod:CW Transitionstates MF →Secondary orbital interaction
- 16:3216:32, 14 November 2016 diff hist +462 Rep:Mod:CW Transitionstates MF →The Diels Alder reaction between cyclopentadiene and bezoquinone
- 16:2316:23, 14 November 2016 diff hist 0 Rep:Mod:CW Transitionstates MF →The Diels Alder reaction between cyclopentadiene and bezoquinone
- 16:1916:19, 14 November 2016 diff hist 0 Rep:Mod:CW Transitionstates MF →The Diels Alder reaction between cyclopentadiene and bezoquinone
- 16:1616:16, 14 November 2016 diff hist +4 Rep:Mod:CW Transitionstates MF →MOs of the reaction between cyclopentadiene and benzoquinone via the exo transition state
- 16:1316:13, 14 November 2016 diff hist +16 Rep:Mod:CW Transitionstates MF →The Diels Alder reaction between cyclopentadiene and bezoquinone
- 15:5415:54, 14 November 2016 diff hist −8 Rep:Mod:CW Transitionstates MF →Energy barriers
- 15:5315:53, 14 November 2016 diff hist +2 Rep:Mod:CW Transitionstates MF →Energy barriers
- 15:5115:51, 14 November 2016 diff hist −35 Rep:Mod:CW Transitionstates MF →Energy barriers
- 15:4615:46, 14 November 2016 diff hist +642 Rep:Mod:CW Transitionstates MF →The Diels Alder reaction between cyclopentadiene and bezoquinone
- 12:5812:58, 14 November 2016 diff hist 0 Rep:Mod:CW Transitionstates MF →The Diels Alder reaction between cyclopentadiene and bezoquinone
- 12:5612:56, 14 November 2016 diff hist −1 Rep:Mod:CW Transitionstates MF →The Diels Alder reaction between cyclopentadiene and bezoquinone
- 12:5312:53, 14 November 2016 diff hist 0 Rep:Mod:CW Transitionstates MF →The Diels Alder reaction between cyclopentadiene and bezoquinone
- 12:5112:51, 14 November 2016 diff hist +79 Rep:Mod:CW Transitionstates MF →The Diels Alder reaction between cyclopentadiene and bezoquinone
- 12:4812:48, 14 November 2016 diff hist +52 Rep:Mod:CW Transitionstates MF →The Diels Alder reaction between cyclopentadiene and bezoquinone
- 12:4412:44, 14 November 2016 diff hist +2,201 Rep:Mod:CW Transitionstates MF →The Diels Alder reaction between cyclopentadiene and bezoquinone
- 12:4412:44, 14 November 2016 diff hist +5 N File:TSMO4 a.jpg mdf14 current
- 12:4212:42, 14 November 2016 diff hist +5 N File:TSMO3 s.jpg mdf14 current
- 12:4112:41, 14 November 2016 diff hist +5 N File:TSMO2 s.jpg mdf14 current
- 12:3812:38, 14 November 2016 diff hist +5 N File:TSMO1 a.jpg mdf14 current
- 12:3012:30, 14 November 2016 diff hist +504 Rep:Mod:CW Transitionstates MF →MOs of the reaction between cyclopentadiene and benzoquinone via the endo transition state
- 12:2612:26, 14 November 2016 diff hist +1,164 Rep:Mod:CW Transitionstates MF →MOs of the reaction between cyclopentadiene and benzoquinone via the endo transition state
- 12:1912:19, 14 November 2016 diff hist +249 Rep:Mod:CW Transitionstates MF →MOs of the reaction between cyclopentadiene and benzoquinone via the endo transition state
- 12:1712:17, 14 November 2016 diff hist +36 N File:MDF EX3 ENDO MOS.LOG Ex2 Transitionstates endo MOs. mdf14 current
- 12:1612:16, 14 November 2016 diff hist +36 N File:MDF EX2 EXO B3LYP MOS.LOG Ex2 transitionstates, exo MOS. mdf14 current