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User contributions for Mc608

Results for Mc608 talk block log uploads logs

A user with 735 edits. Account created on 22 February 2011.

14:3114:31, 25 March 2011 diff hist +16 Rep:Mod 3: CouchMA →TS (Berny) Method<REF>[https://wiki.ch.ic.ac.uk/wiki/images/8/8f/MC_CHAIR_TS_HF.LOG TS(Berny) Opt+Freq Log File]</REF>
14:2814:28, 25 March 2011 diff hist +1,791 Rep:Mod 3: CouchMA →Conclusion
14:1314:13, 25 March 2011 diff hist +168 Rep:Mod 3: CouchMA →Activation Energy
14:1114:11, 25 March 2011 diff hist +38 Rep:Mod 3: CouchMA →Molecular Orbitals
14:1114:11, 25 March 2011 diff hist +23 Rep:Mod 3: CouchMA →Optimisation
14:1014:10, 25 March 2011 diff hist +124 Rep:Mod 3: CouchMA →Molecular Orbitals
14:0714:07, 25 March 2011 diff hist +129 Rep:Mod 3: CouchMA →Activation Energy
14:0514:05, 25 March 2011 diff hist +251 Rep:Mod 3: CouchMA →Optimisation
13:5913:59, 25 March 2011 diff hist +81 Rep:Mod 3: CouchMA →Transition State
13:5513:55, 25 March 2011 diff hist +105 Rep:Mod 3: CouchMA →Simplest Reaction
13:5213:52, 25 March 2011 diff hist +88 Rep:Mod 3: CouchMA →Activation Energies
13:5013:50, 25 March 2011 diff hist +264 Rep:Mod 3: CouchMA →Activation Energies
13:5013:50, 25 March 2011 diff hist 0 N File:MC CHAIR TS B3LYP OPTFREQ.LOG No edit summary current
13:4813:48, 25 March 2011 diff hist 0 N File:MC BOAT TS B3LYP OPTFREQ.LOG No edit summary current
13:4713:47, 25 March 2011 diff hist +23 Rep:Mod 3: CouchMA →Activation Energies
13:4613:46, 25 March 2011 diff hist +22 Rep:Mod 3: CouchMA →Activation Energies
13:4513:45, 25 March 2011 diff hist +134 Rep:Mod 3: CouchMA →QST2 Optimisation
13:4313:43, 25 March 2011 diff hist 0 N File:MC BOAT TS QST2 2.LOG No edit summary current
13:4313:43, 25 March 2011 diff hist +44 Rep:Mod 3: CouchMA →Activation Energies
13:3813:38, 25 March 2011 diff hist +16 Rep:Mod 3: CouchMA →Cope Rearrangement of 1,5-hexadiene
13:3513:35, 25 March 2011 diff hist +34 Rep:Mod 3: CouchMA →Activation Energy
13:3213:32, 25 March 2011 diff hist +360 Rep:Mod 3: CouchMA →IRC
13:2913:29, 25 March 2011 diff hist +1,076 Rep:Mod 3: CouchMA →Optimisation
13:2813:28, 25 March 2011 diff hist 0 N File:MC Exo Product.mol No edit summary current
13:2813:28, 25 March 2011 diff hist 0 N File:MC Exo IRC Gradient.jpg No edit summary current
13:2813:28, 25 March 2011 diff hist 0 N File:MC Exo IRC Energy.jpg No edit summary current
13:2213:22, 25 March 2011 diff hist 0 N File:MC Endo Product.mol No edit summary current
13:1913:19, 25 March 2011 diff hist 0 N File:MC Endo IRC Gradient.jpg No edit summary current
13:1913:19, 25 March 2011 diff hist 0 N File:MC Endo IRC Energy.jpg No edit summary current
13:1313:13, 25 March 2011 diff hist +181 Rep:Mod 3: CouchMA →Activation Energy
13:1213:12, 25 March 2011 diff hist +773 Rep:Mod 3: CouchMA →Molecular Orbitals
12:5412:54, 25 March 2011 diff hist +424 Rep:Mod 3: CouchMA →Optimisation
12:4912:49, 25 March 2011 diff hist +324 Rep:Mod 3: CouchMA →Molecular Orbitals
12:4612:46, 25 March 2011 diff hist +191 Rep:Mod 3: CouchMA →Molecular Orbitals
12:3512:35, 25 March 2011 diff hist +127 Rep:Mod 3: CouchMA →Optimisation
12:0712:07, 25 March 2011 diff hist +38 Rep:Mod 3: CouchMA →Molecular Orbitals
12:0612:06, 25 March 2011 diff hist +1,856 Rep:Mod 3: CouchMA →Optimisation
12:0212:02, 25 March 2011 diff hist 0 N File:MC Exo LUMO.jpg No edit summary current
12:0112:01, 25 March 2011 diff hist 0 N File:MC Exo HOMO.jpg No edit summary current
11:5511:55, 25 March 2011 diff hist 0 N File:MC Endo LUMO.jpg No edit summary current
11:5511:55, 25 March 2011 diff hist 0 N File:MC Endo HOMO.jpg No edit summary current
11:4911:49, 25 March 2011 diff hist 0 N File:MC Cyclohexadiene LUMO.jpg No edit summary current
11:4811:48, 25 March 2011 diff hist 0 N File:MC Cyclohexadiene HOMO.jpg No edit summary current
11:4811:48, 25 March 2011 diff hist 0 N File:MC Maleic Anhydride LUMO.jpg No edit summary current
11:4711:47, 25 March 2011 diff hist 0 N File:MC Maleic Anhydride HOMO.jpg No edit summary current
11:2211:22, 25 March 2011 diff hist +911 Rep:Mod 3: CouchMA →Optimisation
11:1411:14, 25 March 2011 diff hist +1,020 Rep:Mod 3: CouchMA →Optimisation
11:1111:11, 25 March 2011 diff hist 0 N File:MC Exo TS.mol No edit summary current
11:1011:10, 25 March 2011 diff hist 0 N File:MC Endo TS.mol No edit summary current
11:1011:10, 25 March 2011 diff hist 0 N File:MC CHD MA EXO FREQ.LOG No edit summary current

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