User contributions for Da1111
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21 March 2014
- 11:2511:25, 21 March 2014 diff hist +156 Rep:Mod:kitten →Optimising the Reactants and Products
- 11:2111:21, 21 March 2014 diff hist 0 N File:Gauchenewman.jpg No edit summary current
- 11:2111:21, 21 March 2014 diff hist 0 N File:Antinewman.jpg No edit summary current
- 11:1211:12, 21 March 2014 diff hist +25 Rep:Mod:kitten →Intrinsic Reaction Coordinate method
- 11:1111:11, 21 March 2014 diff hist −158 Rep:Mod:kitten →Using the frozen coordinate method
- 11:1011:10, 21 March 2014 diff hist +166 Rep:Mod:kitten →Optimising the Transition Structures
- 11:0811:08, 21 March 2014 diff hist 0 Rep:Mod:kitten →The 'Chair' Transition Structure for 1,5-hexadiene
- 11:0511:05, 21 March 2014 diff hist +226 Rep:Mod:kitten →Optimising the Transition Structures
- 10:5710:57, 21 March 2014 diff hist −5 Rep:Mod:kitten →Computing the force constants (TS Berny optimisation)
- 10:5610:56, 21 March 2014 diff hist +117 Rep:Mod:kitten →The 'Chair' Transition Structure for 1,5-hexadiene
- 10:4810:48, 21 March 2014 diff hist +346 Rep:Mod:kitten →Anti-1,5-hexadiene with Ci symmetry
- 10:4410:44, 21 March 2014 diff hist −270 Rep:Mod:kitten →Anti-1,5-hexadiene with Ci symmetry
- 10:4010:40, 21 March 2014 diff hist +627 Rep:Mod:kitten →Optimising the Reactants and Products
- 10:3210:32, 21 March 2014 diff hist +103 Rep:Mod:kitten →The 'Boat' Transition Structure for 1,5-hexadiene
- 10:2610:26, 21 March 2014 diff hist +6 Rep:Mod:kitten →Computing the force constants (TS Berny optimisation)
- 10:1910:19, 21 March 2014 diff hist 0 File:Coperearrangementscheme.jpg uploaded a new version of "File:Coperearrangementscheme.jpg" current
- 02:1302:13, 21 March 2014 diff hist +615 Rep:Mod:kitten →Calculating the activation energies via 'chair' and 'boat' transition structures
- 02:0202:02, 21 March 2014 diff hist +624 Rep:Mod:kitten →Optimising the Transition Structures
- 01:3201:32, 21 March 2014 diff hist 0 N File:EXOPRODUCTTSBERNYV4.LOG No edit summary
- 01:3201:32, 21 March 2014 diff hist 0 N File:ENDOTSBERNYV1.LOG No edit summary
- 01:3201:32, 21 March 2014 diff hist 0 N File:EndoTSbernyv1.mol No edit summary current
- 01:3201:32, 21 March 2014 diff hist 0 N File:EndoTSbernyv1HOMO.jpg No edit summary current
- 01:3201:32, 21 March 2014 diff hist 0 N File:ExoTSbernyv4HOMO.jpg No edit summary current
- 01:3201:32, 21 March 2014 diff hist 0 N File:ExoTSbernyv4LUMO.jpg No edit summary current
- 01:3201:32, 21 March 2014 diff hist 0 N File:ExoTSbernyv4.jpg No edit summary current
- 01:3201:32, 21 March 2014 diff hist 0 N File:ExoTSbernyv4.mol No edit summary current
- 01:3101:31, 21 March 2014 diff hist 0 File:Endo TS.gif uploaded a new version of "File:Endo TS.gif" current
- 01:3101:31, 21 March 2014 diff hist 0 File:Exo TS.gif uploaded a new version of "File:Exo TS.gif" current
- 01:2501:25, 21 March 2014 diff hist 0 N File:Diels alder berny TSv2HOMO.mol No edit summary current
- 01:2501:25, 21 March 2014 diff hist 0 N File:DielsalderHOMO.jpg No edit summary current
- 01:2501:25, 21 March 2014 diff hist 0 N File:Diels alder TS.gif No edit summary current
- 01:2501:25, 21 March 2014 diff hist 0 N File:Cisbutadiene MO12.jpg No edit summary current
- 01:2501:25, 21 March 2014 diff hist 0 N File:Cisbutadiene MO11.jpg No edit summary current
- 01:2501:25, 21 March 2014 diff hist 0 N File:ChairTSguessv1IRCattempt1.mol No edit summary current
- 01:2501:25, 21 March 2014 diff hist 0 File:Chair IRC.svg uploaded a new version of "File:Chair IRC.svg" current
- 01:2501:25, 21 March 2014 diff hist 0 File:Chair IRC movie.gif uploaded a new version of "File:Chair IRC movie.gif" current
- 01:2501:25, 21 March 2014 diff hist 0 File:BoatTS.mol uploaded a new version of "File:BoatTS.mol" current
- 01:2501:25, 21 March 2014 diff hist 0 File:BoatTS.jpg uploaded a new version of "File:BoatTS.jpg" current
- 00:5800:58, 21 March 2014 diff hist 0 N File:BOATTS.LOG No edit summary current
- 00:5800:58, 21 March 2014 diff hist 0 N File:CHAIRTSGUESSV2CONT.LOG No edit summary current
- 00:5800:58, 21 March 2014 diff hist 0 N File:Chair TS vibration.gif No edit summary current
- 00:5800:58, 21 March 2014 diff hist 0 N File:CHAIRTSGUESSV1.LOG No edit summary current
- 00:5800:58, 21 March 2014 diff hist 0 N File:Boat TS vibration.gif No edit summary current
- 00:5800:58, 21 March 2014 diff hist 0 File:Bgauchev2.mol uploaded a new version of "File:Bgauchev2.mol" current
- 00:5800:58, 21 March 2014 diff hist 0 N File:ChairTSguessv2cont.mol No edit summary current
- 00:5800:58, 21 March 2014 diff hist 0 N File:ChairTSguessv2cont.jpg No edit summary current
- 00:5800:58, 21 March 2014 diff hist 0 N File:ChairTSguessv1.mol No edit summary current
- 00:5800:58, 21 March 2014 diff hist 0 N File:ChairTSguessv1.jpg No edit summary current
- 00:4500:45, 21 March 2014 diff hist +2,519 Rep:Mod:kitten No edit summary
- 00:0600:06, 21 March 2014 diff hist +57 Rep:Mod:kitten No edit summary