User contributions for Cma209

7 February 2013

• 12:3812:38, 7 February 2013 diff hist +41 Rep:Mod:cma209 →Unfreezing the frozen bonds
• 12:3712:37, 7 February 2013 diff hist 0 N File:Chair derivative vib.gif No edit summary current
• 12:3512:35, 7 February 2013 diff hist +352 Rep:Mod:cma209 →Unfreezing the frozen bonds
• 12:2612:26, 7 February 2013 diff hist +345 Rep:Mod:cma209 →Unfreezing the frozen bonds
• 12:2412:24, 7 February 2013 diff hist +894 Rep:Mod:cma209 No edit summary
• 12:2212:22, 7 February 2013 diff hist 0 N File:Chair derivative opt.out No edit summary current
• 12:1912:19, 7 February 2013 diff hist +16 Rep:Mod:cma209 →Unfreezing the frozen bonds
• 12:1812:18, 7 February 2013 diff hist +162 Rep:Mod:cma209 →Unfreezing the frozen bonds
• 12:1612:16, 7 February 2013 diff hist +582 Rep:Mod:cma209 →Redundant Coordinate Method of Optimisation
• 12:0912:09, 7 February 2013 diff hist 0 Rep:Mod:cma209 →Optimizing and Frequency Analysis of Chair TS
• 12:0912:09, 7 February 2013 diff hist −2 Rep:Mod:cma209 →Optimizing and Frequency Analysis of Chair TS
• 12:0912:09, 7 February 2013 diff hist +151 Rep:Mod:cma209 →Redundant Coordinate Method of Optimisation
• 12:0512:05, 7 February 2013 diff hist +397 Rep:Mod:cma209 No edit summary
• 12:0412:04, 7 February 2013 diff hist +479 Rep:Mod:cma209 No edit summary
• 12:0312:03, 7 February 2013 diff hist 0 N File:CHAIR REDUNDANTCOORD OPT.LOG No edit summary current
• 11:5611:56, 7 February 2013 diff hist +267 Rep:Mod:cma209 →Redundant Coordinate Method of Optimisation
• 11:5411:54, 7 February 2013 diff hist 0 N File:Chair ts redcoord.png No edit summary current
• 11:4111:41, 7 February 2013 diff hist −14 Rep:Mod:cma209 →Redundant Coordinate Method of Optimisation
• 11:4111:41, 7 February 2013 diff hist +2,094 Rep:Mod:cma209 No edit summary
• 11:3111:31, 7 February 2013 diff hist +129 Rep:Mod:cma209 →Optimizing and Frequency Analysis of Chair TS

6 February 2013

• 17:5717:57, 6 February 2013 diff hist +377 Rep:Mod:cma209 →Optimizing and Frequency Analysis of Chair TS
• 17:5617:56, 6 February 2013 diff hist 0 N File:Chair negative vibration.gif No edit summary current
• 17:5217:52, 6 February 2013 diff hist +398 Rep:Mod:cma209 →Optimizing and Frequency Analysis of Chair TS
• 17:5117:51, 6 February 2013 diff hist +6 Rep:Mod:cma209 →Optimizing and Frequency Analysis of Chair TS
• 17:5017:50, 6 February 2013 diff hist +1,144 Rep:Mod:cma209 →Optimizing the "Chair" and "Boat" Transition Structures
• 17:4417:44, 6 February 2013 diff hist 0 File:CHAIR TS GUESS1.LOG uploaded a new version of "File:CHAIR TS GUESS1.LOG"
• 17:4417:44, 6 February 2013 diff hist 0 N File:CHAIR TS GUESS1.LOG No edit summary
• 17:3917:39, 6 February 2013 diff hist 0 N File:Chair ts 321.png No edit summary current
• 16:5816:58, 6 February 2013 diff hist +694 Rep:Mod:cma209 →Optimizing the "Chair" and "Boat" Transition Structures

5 February 2013

• 16:3216:32, 5 February 2013 diff hist +75 Rep:Mod:cma209 →Optimizing Allyl Fragment CH2CHCH2
• 16:3116:31, 5 February 2013 diff hist +2,936 Rep:Mod:cma209 →Optimizing Allyl Fragment CH2CHCH2
• 16:2416:24, 5 February 2013 diff hist 0 Rep:Mod:cma209 →Optimizing Allyl Fragment CH2CHCH2

3 February 2013

• 16:4916:49, 3 February 2013 diff hist +468 Rep:Mod:cma209 No edit summary
• 16:4716:47, 3 February 2013 diff hist 0 File:Allyl fragment.png uploaded a new version of "File:Allyl fragment.png" current
• 16:4716:47, 3 February 2013 diff hist 0 N File:Allyl Fragment.log No edit summary current
• 16:3316:33, 3 February 2013 diff hist +13 Rep:Mod:cma209 →Cope Rearrangement of 1,5-hexadiene -- Reactants/Products
• 16:3316:33, 3 February 2013 diff hist −7 Rep:Mod:cma209 →Cope Rearrangement of 1,5-hexadiene to study chemical reactivity
• 16:3216:32, 3 February 2013 diff hist +446 Rep:Mod:cma209 No edit summary
• 16:2616:26, 3 February 2013 diff hist +142 Rep:Mod:cma209 →Optimising 1,5-hexadiene (anti2) at higher basis set
• 16:2416:24, 3 February 2013 diff hist +159 Rep:Mod:cma209 →Optimising 1,5-hexadiene (gauche3)
• 16:2316:23, 3 February 2013 diff hist +159 Rep:Mod:cma209 →Optimising 1-5-hexadiene (gauche4)
• 16:2216:22, 3 February 2013 diff hist +156 Rep:Mod:cma209 →Optimisation
• 16:1916:19, 3 February 2013 diff hist +19 Rep:Mod:cma209 →Thermochemistry
• 16:1816:18, 3 February 2013 diff hist +444 Rep:Mod:cma209 →Thermochemistry
• 16:1216:12, 3 February 2013 diff hist +303 Rep:Mod:cma209 →IR Spectrum
• 16:0916:09, 3 February 2013 diff hist +974 Rep:Mod:cma209 →IR Spectrum
• 15:5315:53, 3 February 2013 diff hist +432 Rep:Mod:cma209 →Frequency calculation of 1,5-hexadiene (anti2)
• 15:4415:44, 3 February 2013 diff hist +2 Rep:Mod:cma209 →IR Spectrum
• 15:4415:44, 3 February 2013 diff hist +1 Rep:Mod:cma209 →Low frequencies Table
• 15:4415:44, 3 February 2013 diff hist −4 Rep:Mod:cma209 →Optimising 1,5-hexadiene (anti2) at higher basis set