User contributions for Ml4111
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21 March 2014
- 13:2713:27, 21 March 2014 diff hist +16 Rep:Mod:tyuio598plm →Activation energies analysis and discussion on selectivity
- 13:1913:19, 21 March 2014 diff hist +202 Rep:Mod:tyuio598plm →The Diels Alder Cycloaddition
- 13:1513:15, 21 March 2014 diff hist +87 Rep:Mod:tyuio598plm →The Cope Rearrangement
- 13:1313:13, 21 March 2014 diff hist 0 Rep:Mod:tyuio598plm →Anti 2
- 13:1213:12, 21 March 2014 diff hist +254 Rep:Mod:tyuio598plm →HOMO-LUMO analysis and secondary orbital interactions (SOIs)
- 13:0913:09, 21 March 2014 diff hist +260 Rep:Mod:tyuio598plm →Diels Alder reaction between cyclohexa-1,3-diene and maleic anhydride
- 13:0813:08, 21 March 2014 diff hist 0 N File:ENDOTS OPTFREQ.LOG No edit summary current
- 13:0813:08, 21 March 2014 diff hist 0 N File:EXO FREQFROZEN2.LOG No edit summary current
- 13:0613:06, 21 March 2014 diff hist 0 File:Endo irc myl.log uploaded a new version of "File:Endo irc myl.log" current
- 13:0613:06, 21 March 2014 diff hist 0 N File:Exo frozen irc myl.log No edit summary current
- 13:0513:05, 21 March 2014 diff hist 0 N File:ENDOTS OPT.LOG No edit summary current
- 13:0513:05, 21 March 2014 diff hist 0 N File:Exo opt myl.log No edit summary current
- 13:0313:03, 21 March 2014 diff hist 0 N File:CYCLOHEXADIENE FREQ 631G.LOG No edit summary current
- 13:0313:03, 21 March 2014 diff hist 0 N File:CYCLOHEXADIENE OPT 631G.LOG No edit summary current
- 13:0313:03, 21 March 2014 diff hist 0 N File:MALEIC FREQ 631G.LOG No edit summary current
- 13:0313:03, 21 March 2014 diff hist 0 N File:MALEIC OPT 631G.LOG No edit summary current
- 12:5812:58, 21 March 2014 diff hist 0 N File:Endo irc myl.log No edit summary
- 12:5612:56, 21 March 2014 diff hist +115 Rep:Mod:tyuio598plm →Diels Alder reaction between cis-butadiene and ethene
- 12:5312:53, 21 March 2014 diff hist 0 N File:TS OPT 631G.LOG No edit summary current
- 12:5312:53, 21 March 2014 diff hist 0 N File:Ts irc myl.log No edit summary current
- 12:5312:53, 21 March 2014 diff hist 0 N File:ETHENE OPT AM1.LOG No edit summary
- 12:5312:53, 21 March 2014 diff hist 0 N File:ETHENE FREQ 631G.LOG No edit summary current
- 12:5312:53, 21 March 2014 diff hist 0 N File:CYCLOHEXENETS OPT 631G IRC.LOG No edit summary current
- 12:5312:53, 21 March 2014 diff hist 0 N File:CISBUTADIENE OPT AM1.LOG No edit summary current
- 12:5312:53, 21 March 2014 diff hist 0 N File:CISBUTADIENE OPT 631G.LOG No edit summary current
- 12:5312:53, 21 March 2014 diff hist 0 N File:CISBUTADIENE OPT.LOG No edit summary
- 12:5312:53, 21 March 2014 diff hist 0 N File:CISBUTADIENE FREQ 631G.LOG No edit summary current
- 12:5112:51, 21 March 2014 diff hist +142 Rep:Mod:tyuio598plm →Activation energies analysis
- 12:4712:47, 21 March 2014 diff hist −2 Rep:Mod:tyuio598plm →Intrinsic reaction coordinate (IRC) calculation
- 12:4612:46, 21 March 2014 diff hist +2 Rep:Mod:tyuio598plm →Intrinsic reaction coordinate (IRC) calculation
- 12:4512:45, 21 March 2014 diff hist +173 Rep:Mod:tyuio598plm →Optimising the "chair" and "boat" transition structures
- 12:4212:42, 21 March 2014 diff hist 0 N File:CHAIRTSFROZENB.LOG No edit summary current
- 12:4012:40, 21 March 2014 diff hist 0 N File:CHAIRTS2.LOG No edit summary current
- 12:3912:39, 21 March 2014 diff hist 0 N File:CHAIRTSFROZENB OPT 631G.LOG No edit summary current
- 12:3912:39, 21 March 2014 diff hist 0 N File:CHAIRTSFROZEN IRC2.LOG No edit summary current
- 12:3912:39, 21 March 2014 diff hist 0 N File:CHAIRTS2 OPT 631G.LOG No edit summary current
- 12:3912:39, 21 March 2014 diff hist 0 N File:CHAIRTS IRC OPT 631G.LOG No edit summary current
- 12:3912:39, 21 March 2014 diff hist 0 N File:BOATQST2 631G.LOG No edit summary current
- 12:3912:39, 21 March 2014 diff hist 0 N File:BOATQST2.LOG No edit summary current
- 12:3912:39, 21 March 2014 diff hist 0 N File:ALLYL OPT 321G1.LOG No edit summary current
- 12:3712:37, 21 March 2014 diff hist +82 Rep:Mod:tyuio598plm →Thermochemistry
- 12:3412:34, 21 March 2014 diff hist +39 Rep:Mod:tyuio598plm →Optimisation and frequency analysis of 1,5-hexadiene with B3LYP/6-31G*
- 12:2212:22, 21 March 2014 diff hist +303 Rep:Mod:tyuio598plm →Optimisation of 1,5-hexadiene with Hartree Fock/3-21G basis set
- 12:1712:17, 21 March 2014 diff hist 0 N File:HEXADIENE GAUCHE6 FREQ.LOG No edit summary current
- 12:1712:17, 21 March 2014 diff hist 0 N File:HEXADIENE ANTI2 FREQ 631G.LOG No edit summary current
- 12:1712:17, 21 March 2014 diff hist 0 File:GAUCHE2 OPT.LOG uploaded a new version of "File:GAUCHE2 OPT.LOG" current
- 12:1712:17, 21 March 2014 diff hist 0 N File:GAUCHE3 OPT.LOG No edit summary current
- 12:1712:17, 21 March 2014 diff hist 0 N File:HEXADIENE GAUCHE6 OPT.LOG No edit summary current
- 12:1712:17, 21 March 2014 diff hist 0 N File:HEXADIENE ANTI4 OPT.LOG No edit summary current
- 12:1712:17, 21 March 2014 diff hist 0 N File:HEXADIENE ANTI2 OPT 631G 0K.LOG No edit summary current