User contributions for Ml4111
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21 March 2014
- 12:1712:17, 21 March 2014 diff hist 0 N File:HEXADIENE ANTI2 OPT 631G.LOG No edit summary current
- 12:1712:17, 21 March 2014 diff hist 0 File:HEXADIENE ANTI2 OPT.LOG uploaded a new version of "File:HEXADIENE ANTI2 OPT.LOG" current
- 12:1512:15, 21 March 2014 diff hist +11 Rep:Mod:tyuio598plm →Diels Alder reaction between cyclohexa-1,3-diene and maleic anhydride
- 12:1312:13, 21 March 2014 diff hist +14 Rep:Mod:tyuio598plm →Diels Alder reaction between cyclohexa-1,3-diene and maleic anhydride
- 12:1112:11, 21 March 2014 diff hist +17 Rep:Mod:tyuio598plm →Diels Alder reaction between cis-butadiene and ethene
- 12:0912:09, 21 March 2014 diff hist +3 Rep:Mod:tyuio598plm →Activation energies analysis
- 12:0812:08, 21 March 2014 diff hist +24 Rep:Mod:tyuio598plm →Intrinsic reaction coordinate (IRC) calculation
- 12:0512:05, 21 March 2014 diff hist +1 Rep:Mod:tyuio598plm →Optimising the "boat" transition state
- 12:0512:05, 21 March 2014 diff hist 0 Rep:Mod:tyuio598plm →Frozen coordinate method
- 12:0412:04, 21 March 2014 diff hist +6 Rep:Mod:tyuio598plm →Optimising the "chair" and "boat" transition structures
- 12:0312:03, 21 March 2014 diff hist 0 Rep:Mod:tyuio598plm →Thermochemistry
- 12:0312:03, 21 March 2014 diff hist 0 Rep:Mod:tyuio598plm →Comparison of results of using different methods and basis sets
- 12:0212:02, 21 March 2014 diff hist 0 Rep:Mod:tyuio598plm →Comparison of energies of all conformations
- 11:5811:58, 21 March 2014 diff hist +6 Rep:Mod:tyuio598plm →The Cope Rearrangement
- 11:5811:58, 21 March 2014 diff hist +275 Rep:Mod:tyuio598plm →Regioselectivity
- 11:5511:55, 21 March 2014 diff hist +360 Rep:Mod:tyuio598plm →Solvent effect
- 11:4811:48, 21 March 2014 diff hist 0 Rep:Mod:tyuio598plm →Solvent effect
- 11:4811:48, 21 March 2014 diff hist +677 Rep:Mod:tyuio598plm →Further discussion
- 11:4311:43, 21 March 2014 diff hist +23 Rep:Mod:tyuio598plm →Reference
- 11:4211:42, 21 March 2014 diff hist −23 Rep:Mod:tyuio598plm →Further discussion
- 11:3111:31, 21 March 2014 diff hist +23 Rep:Mod:tyuio598plm →Reference
- 11:3011:30, 21 March 2014 diff hist −64 Rep:Mod:tyuio598plm →Activation energies analysis
- 11:2811:28, 21 March 2014 diff hist −236 Rep:Mod:tyuio598plm →Comparison of energies of all conformations
- 11:2811:28, 21 March 2014 diff hist +335 Rep:Mod:tyuio598plm →Comparison of energies of all conformations
- 11:2811:28, 21 March 2014 diff hist 0 File:Butane myl.PNG uploaded a new version of "File:Butane myl.PNG" current
- 11:1111:11, 21 March 2014 diff hist 0 N File:Butane myl.PNG No edit summary
- 11:0711:07, 21 March 2014 diff hist 0 N File:Chairboat myl.PNG No edit summary current
- 11:0311:03, 21 March 2014 diff hist +596 Rep:Mod:tyuio598plm →Comparison of energies of all conformations
- 11:0111:01, 21 March 2014 diff hist 0 N File:GAUCHE2 myl.mol No edit summary current
- 11:0111:01, 21 March 2014 diff hist 0 N File:GAUCHE3 myl.mol No edit summary current
- 11:0111:01, 21 March 2014 diff hist 0 N File:Anti4 myl.mol No edit summary current
- 10:5310:53, 21 March 2014 diff hist +144 Rep:Mod:tyuio598plm →Comparison of energies of all conformations
- 10:5110:51, 21 March 2014 diff hist +580 Rep:Mod:tyuio598plm →Comparison of energies of all conformations
- 10:4410:44, 21 March 2014 diff hist +96 Rep:Mod:tyuio598plm →Comparison of energies of all conformations
- 10:4210:42, 21 March 2014 diff hist +183 Rep:Mod:tyuio598plm →Transition state analysis
- 10:3710:37, 21 March 2014 diff hist +30 Rep:Mod:tyuio598plm →Activation energies analysis and discussion on selectivity
- 10:3610:36, 21 March 2014 diff hist +628 Rep:Mod:tyuio598plm →Activation energies analysis
- 10:2210:22, 21 March 2014 diff hist −29 Rep:Mod:tyuio598plm →Transition state analysis
- 10:0410:04, 21 March 2014 diff hist 0 Rep:Mod:tyuio598plm →Diels Alder reaction between cyclohexa-1,3-diene and maleic anhydride
- 10:0410:04, 21 March 2014 diff hist +126 Rep:Mod:tyuio598plm →Diels Alder reaction between cyclohexa-1,3-diene and maleic anhydride
- 10:0210:02, 21 March 2014 diff hist +181 Rep:Mod:tyuio598plm →HOMO-LUMO analysis and secondary orbital interactions (SOIs)
- 09:5909:59, 21 March 2014 diff hist 0 N File:Exoendo myl.png No edit summary current
- 09:5909:59, 21 March 2014 diff hist 0 N File:Exoendosoi myl.png No edit summary current
- 08:2508:25, 21 March 2014 diff hist +7 Rep:Mod:tyuio598plm →HOMO-LUMO analysis and secondary orbital interactions (SOIs)
- 08:2208:22, 21 March 2014 diff hist 0 Rep:Mod:tyuio598plm →IRC analysis
- 08:2208:22, 21 March 2014 diff hist +140 Rep:Mod:tyuio598plm →IRC analysis
- 08:2108:21, 21 March 2014 diff hist +375 Rep:Mod:tyuio598plm →IRC analysis
- 08:2008:20, 21 March 2014 diff hist 0 N File:Exoenergyplot myl.png No edit summary current
- 08:2008:20, 21 March 2014 diff hist 0 N File:Exormsplot myl.png No edit summary current
- 08:2008:20, 21 March 2014 diff hist 0 N File:Endoenergyplot myl.png No edit summary current