User contributions for Sds111
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17 March 2014
- 16:1216:12, 17 March 2014 diff hist +1 Rep:Mod:CHEM121500122000 →Vibration that corresponds to the reaction path at the TS
- 16:1116:11, 17 March 2014 diff hist +31 Rep:Mod:CHEM121500122000 →Vibration that corresponds to the reaction path at the TS
- 16:0916:09, 17 March 2014 diff hist +284 Rep:Mod:CHEM121500122000 →Vibration that corresponds to the reaction path at the TS
- 16:0916:09, 17 March 2014 diff hist 0 N File:124225vibrate166.gif No edit summary current
- 16:0716:07, 17 March 2014 diff hist +19 Rep:Mod:CHEM121500122000 →Vibration that corresponds to the reaction path at the TS
- 16:0416:04, 17 March 2014 diff hist +2 Rep:Mod:CHEM121500122000 →(iii) Study of the regioselectivity of the Diels Alder Reaction
- 16:0316:03, 17 March 2014 diff hist +3 Rep:Mod:CHEM121500122000 →(i) Cis-butadiene
- 16:0216:02, 17 March 2014 diff hist 0 Rep:Mod:CHEM121500122000 →(i) Cis-butadiene
- 16:0216:02, 17 March 2014 diff hist −2 Rep:Mod:CHEM121500122000 →Optimization of geometry
- 16:0216:02, 17 March 2014 diff hist −4 Rep:Mod:CHEM121500122000 →Optimization of geometry
- 16:0016:00, 17 March 2014 diff hist +38 Rep:Mod:CHEM121500122000 →LUMO
- 16:0016:00, 17 March 2014 diff hist +34 Rep:Mod:CHEM121500122000 →HOMO
- 15:5915:59, 17 March 2014 diff hist 0 N File:124225LUMOView5.png No edit summary current
- 15:5915:59, 17 March 2014 diff hist 0 N File:124225LUMOView4.png No edit summary current
- 15:5915:59, 17 March 2014 diff hist 0 N File:124225LUMOView3.png No edit summary
- 15:5515:55, 17 March 2014 diff hist 0 N File:124225LUMOView2.png No edit summary
- 15:5515:55, 17 March 2014 diff hist 0 N File:124225LUMOView1.png No edit summary
- 15:5415:54, 17 March 2014 diff hist +641 Rep:Mod:CHEM121500122000 →HOMO & LUMO Molecular Orbitals
- 15:4515:45, 17 March 2014 diff hist +167 Rep:Mod:CHEM121500122000 →(ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path
- 15:4315:43, 17 March 2014 diff hist 0 N File:124225outputDAtslog.png No edit summary current
- 15:4215:42, 17 March 2014 diff hist +26 Rep:Mod:CHEM121500122000 →Vibration that corresponds to the reaction path at the TS
- 15:4215:42, 17 March 2014 diff hist +61 Rep:Mod:CHEM121500122000 →Vibration that corresponds to the reaction path at the TS
- 15:4115:41, 17 March 2014 diff hist +97 Rep:Mod:CHEM121500122000 →Vibration that corresponds to the reaction path at the TS
- 15:4115:41, 17 March 2014 diff hist 0 N File:124225vibrate817.gif No edit summary current
- 15:3915:39, 17 March 2014 diff hist +118 Rep:Mod:CHEM121500122000 →Vibration that corresponds to the reaction path at the TS
- 15:3515:35, 17 March 2014 diff hist +114 Rep:Mod:CHEM121500122000 →Geometry of the Transition State
- 15:3115:31, 17 March 2014 diff hist +28 Rep:Mod:CHEM121500122000 →HOMO & LUMO Molecular Orbitals
- 15:3015:30, 17 March 2014 diff hist 0 N File:124225HOMOView5.png No edit summary current
- 15:3015:30, 17 March 2014 diff hist 0 N File:124225HOMOView4.png No edit summary current
- 15:3015:30, 17 March 2014 diff hist 0 N File:124225HOMOView3.png No edit summary
- 15:3015:30, 17 March 2014 diff hist +355 Rep:Mod:CHEM121500122000 →HOMO & LUMO Molecular Orbitals
- 15:2315:23, 17 March 2014 diff hist +255 Rep:Mod:CHEM121500122000 →HOMO & LUMO Molecular Orbitals
- 15:2315:23, 17 March 2014 diff hist 0 N File:124225HOMOView2.png No edit summary
- 15:2215:22, 17 March 2014 diff hist 0 N File:124225HOMOView1.png No edit summary
- 15:1715:17, 17 March 2014 diff hist −1 Rep:Mod:CHEM121500122000 →HOMO & LUMO Molecular Orbitals
- 15:1515:15, 17 March 2014 diff hist +95 Rep:Mod:CHEM121500122000 →(ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path
- 15:1515:15, 17 March 2014 diff hist 0 N File:TSCALC BERNY DA HF 321G V5.LOG No edit summary current
- 15:1415:14, 17 March 2014 diff hist +106 Rep:Mod:CHEM121500122000 No edit summary
- 15:1315:13, 17 March 2014 diff hist +96 Rep:Mod:CHEM121500122000 →(ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path
- 15:1315:13, 17 March 2014 diff hist 0 N File:124225outputDAts.png No edit summary current
- 15:1315:13, 17 March 2014 diff hist 0 File:124225inputDAts.png uploaded a new version of "File:124225inputDAts.png" current
- 14:5814:58, 17 March 2014 diff hist 0 File:124225inputDAts.png uploaded a new version of "File:124225inputDAts.png"
- 14:5314:53, 17 March 2014 diff hist +208 Rep:Mod:CHEM121500122000 →(ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path
- 14:4814:48, 17 March 2014 diff hist +2 Rep:Mod:CHEM121500122000 →(iii) Study of the regioselectivity of the Diels Alder Reaction
- 14:4714:47, 17 March 2014 diff hist −2 Rep:Mod:CHEM121500122000 →(ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path
- 14:4614:46, 17 March 2014 diff hist +324 Rep:Mod:CHEM121500122000 No edit summary
- 14:4614:46, 17 March 2014 diff hist 0 File:124225inputDAts.png uploaded a new version of "File:124225inputDAts.png"
- 14:4214:42, 17 March 2014 diff hist 0 N File:124225inputDAts.png No edit summary
- 14:1714:17, 17 March 2014 diff hist +72 Rep:Mod:CHEM121500122000 →HOMO & LUMO Molecular Orbitals
- 14:1414:14, 17 March 2014 diff hist +421 Rep:Mod:CHEM121500122000 No edit summary