User contributions for Jm4311

13 February 2014

• 13:3413:34, 13 February 2014 diff hist +4 N File:Butadiene B3LYP 6-31Gd HOMO 1a.cub.pngj HOMO current
• 13:1113:11, 13 February 2014 diff hist 0 Rep:Mod:MJM333 →Butadiene
• 13:1113:11, 13 February 2014 diff hist +133 Rep:Mod:MJM333 →Butadiene
• 13:0613:06, 13 February 2014 diff hist −3 Rep:Mod:MJM333 →Butadiene
• 13:0513:05, 13 February 2014 diff hist 0 File:Butadiene LUMO AM1 image 1.png uploaded a new version of "File:Butadiene LUMO AM1 image 1.png": AM1-optimised butadiene LUMO current
• 13:0413:04, 13 February 2014 diff hist +28 N File:Butadiene LUMO AM1 image 1.png AM1-optimised butadiene HOMO
• 13:0413:04, 13 February 2014 diff hist +247 Rep:Mod:MJM333 No edit summary
• 13:0213:02, 13 February 2014 diff hist +28 N File:Butadiene HOMO AM1 image 1.png AM1-optimised butadiene HOMO current
• 12:5012:50, 13 February 2014 diff hist +88 Rep:Mod:MJM333 →Butadiene
• 12:5012:50, 13 February 2014 diff hist +28 N File:Butadiene opti AM1 1b mo11 aethahte.cub.pngj AM1-optimised butadiene HOMO current
• 12:4412:44, 13 February 2014 diff hist +4 Rep:Mod:MJM333 →Butadiene
• 12:4412:44, 13 February 2014 diff hist +28 N File:Butadiene opti AM1 1b mo11 lihxxbbgliuyg.cub.pngj AM1-optimised butadiene HOMO current
• 12:3512:35, 13 February 2014 diff hist +5 Rep:Mod:MJM333 →Butadiene
• 12:3212:32, 13 February 2014 diff hist +2 Rep:Mod:MJM333 →Butadiene
• 12:2412:24, 13 February 2014 diff hist +5 Rep:Mod:MJM333 No edit summary
• 12:1612:16, 13 February 2014 diff hist +32 Rep:Mod:MJM333 No edit summary
• 12:1512:15, 13 February 2014 diff hist +16 N File:Butadiene CUBE homo 1a agoijs.cub AM1 HOMO orbital current
• 12:1312:13, 13 February 2014 diff hist +163 Rep:Mod:MJM333 No edit summary

12 February 2014

• 16:5316:53, 12 February 2014 diff hist +139 Rep:Mod:MJM333 No edit summary
• 16:5216:52, 12 February 2014 diff hist +86 Rep:Mod:MJM333 No edit summary
• 16:5016:50, 12 February 2014 diff hist +9 N File:Boat form movie animation.gif Animation current
• 16:4416:44, 12 February 2014 diff hist +229 Rep:Mod:MJM333 No edit summary
• 16:4116:41, 12 February 2014 diff hist +36 N File:Reaction QST2 boat 2a awerhaerh.mol C2v boat form from QST2 calculations current
• 16:4016:40, 12 February 2014 diff hist +81 Rep:Mod:MJM333 No edit summary
• 15:3915:39, 12 February 2014 diff hist +95 Rep:Mod:MJM333 No edit summary
• 15:3715:37, 12 February 2014 diff hist +17 N File:Anti diene Ci B3LYP 6-31G STAR with a D OPTIMISATION 4 atjaeth.mol Lowest energy yet current
• 15:3515:35, 12 February 2014 diff hist +29 Rep:Mod:MJM333 No edit summary
• 15:3215:32, 12 February 2014 diff hist +205 Rep:Mod:MJM333 No edit summary
• 15:1115:11, 12 February 2014 diff hist +111 Rep:Mod:MJM333 No edit summary
• 14:3614:36, 12 February 2014 diff hist +16 Rep:Mod:MJM333 No edit summary
• 14:3314:33, 12 February 2014 diff hist +217 Rep:Mod:MJM333 No edit summary
• 14:3014:30, 12 February 2014 diff hist +9 N File:Chair ROUGH guess 1 calculation 2 result.mol C2h chair current
• 13:4613:46, 12 February 2014 diff hist +88 Rep:Mod:MJM333 No edit summary
• 12:4512:45, 12 February 2014 diff hist +247 Rep:Mod:MJM333 No edit summary
• 12:2212:22, 12 February 2014 diff hist +106 Rep:Mod:MJM333 No edit summary
• 12:2012:20, 12 February 2014 diff hist +49 N File:Anti diene Ci B3LYP 6-31G STAR REALLY eryshr.mol Lower in energy still at a higher level of theory current
• 12:1912:19, 12 February 2014 diff hist +337 Rep:Mod:MJM333 No edit summary
• 12:0912:09, 12 February 2014 diff hist −1 Rep:Mod:MJM333 No edit summary
• 11:5811:58, 12 February 2014 diff hist +43 Rep:Mod:MJM333 No edit summary
• 11:5811:58, 12 February 2014 diff hist +40 N File:Anti diene Ci B3LYP 6-31G star argawrgwr.mol Lower energy at a higher level of theory current
• 11:5711:57, 12 February 2014 diff hist +278 Rep:Mod:MJM333 No edit summary
• 11:4411:44, 12 February 2014 diff hist +11 Rep:Mod:MJM333 No edit summary
• 11:4211:42, 12 February 2014 diff hist +21 N File:Anti diene Ci result 1a agjioawef.mol Ci anti 1,5-hexadiene current
• 11:4111:41, 12 February 2014 diff hist +152 Rep:Mod:MJM333 No edit summary
• 11:3711:37, 12 February 2014 diff hist −30 Rep:Mod:MJM333 No edit summary
• 11:3411:34, 12 February 2014 diff hist +34 N File:Anti diene Ci guess 1a.mol Initial guess for Ci 1,5-hexadiene current
• 11:3411:34, 12 February 2014 diff hist +135 Rep:Mod:MJM333 No edit summary

11 February 2014

• 22:5222:52, 11 February 2014 diff hist +51 Rep:Mod:MJM333 No edit summary
• 22:5122:51, 11 February 2014 diff hist −7 Rep:Mod:MJM333 No edit summary
• 22:5022:50, 11 February 2014 diff hist +46 N File:Gauche diene PREDICTED LOWEST mol 2 initially.mol Second guess at the lowest-energy conformation current