User contributions for Jd1910

6 February 2013

• 12:2112:21, 6 February 2013 diff hist +145 Rep:Mod:jd1910 →Calculation of Optimal Transition State Structures via Frozen Coordinate Method
• 12:1712:17, 6 February 2013 diff hist 0 N File:ENVELOPE IRC SUMMARY 2.jpg No edit summary current
• 12:1612:16, 6 February 2013 diff hist 0 N File:ENVELOPE IRC LAST STRUCTURE 2.jpg No edit summary current
• 12:0612:06, 6 February 2013 diff hist +152 Rep:Mod:jd1910 →Calculation of Optimal Transition State Structures via Frozen Coordinate Method
• 12:0412:04, 6 February 2013 diff hist 0 N File:ENVELOPE IRC SUMMARY.jpg No edit summary current
• 12:0312:03, 6 February 2013 diff hist 0 N File:ENVELOPE IRC LAST STRUCTURE.jpg No edit summary current
• 12:0012:00, 6 February 2013 diff hist +64 Rep:Mod:jd1910 →Calculation of Optimal Transition State Structures via Frozen Coordinate Method
• 11:5811:58, 6 February 2013 diff hist 0 Rep:Mod:jd1910 →Calculation of Optimal Transition State Structures via Frozen Coordinate Method
• 11:5611:56, 6 February 2013 diff hist +150 Rep:Mod:jd1910 →Optimisation of the Butadiene and Ethene Fragments
• 11:5211:52, 6 February 2013 diff hist +280 Rep:Mod:jd1910 →Optimisation of the Butadiene and Ethene Fragments
• 11:4711:47, 6 February 2013 diff hist −15 Rep:Mod:jd1910 →Optimisation of the Butadiene and Ethene Fragments
• 11:4311:43, 6 February 2013 diff hist +190 Rep:Mod:jd1910 →The Reaction of Ethylene with cis-Butadiene
• 11:2811:28, 6 February 2013 diff hist +106 Rep:Mod:jd1910 →Optimising Exo and Endo Transition States
• 11:0611:06, 6 February 2013 diff hist +49 Rep:Mod:jd1910 →Optimising Exo and Endo Transition States
• 09:5209:52, 6 February 2013 diff hist +49 Rep:Mod:jd1910 →Optimising Exo and Endo Transition States
• 09:4809:48, 6 February 2013 diff hist +107 Rep:Mod:jd1910 →Optimising Exo and Endo Transition States

5 February 2013

• 17:1217:12, 5 February 2013 diff hist +4 Rep:Mod:jd1910 →Optimisation of the Butadiene and Ethene Fragments
• 16:4716:47, 5 February 2013 diff hist −104 Rep:Mod:jd1910 →Calculation of Boat and Chair Activation Energies
• 16:4316:43, 5 February 2013 diff hist 0 Rep:Mod:jd1910 →Optimisation of the Butadiene and Ethene Fragments
• 16:4216:42, 5 February 2013 diff hist +2 Rep:Mod:jd1910 →Optimisation of the Butadiene and Ethene Fragments
• 16:4016:40, 5 February 2013 diff hist +845 Rep:Mod:jd1910 →Calculation of Boat and Chair Activation Energies
• 16:3816:38, 5 February 2013 diff hist +5 Rep:Mod:jd1910 →Calculation of Boat and Chair Activation Energies
• 16:2816:28, 5 February 2013 diff hist +151 Rep:Mod:jd1910 →Frequency Analysis of app Conformer
• 16:2116:21, 5 February 2013 diff hist −20 Rep:Mod:jd1910 →Calculation of Boat and Chair Activation Energies
• 16:1716:17, 5 February 2013 diff hist +272 Rep:Mod:jd1910 →Calculation of Boat and Chair Activation Energies
• 16:1016:10, 5 February 2013 diff hist +159 Rep:Mod:jd1910 →Calculation of Boat and Chair Activation Energies
• 15:4215:42, 5 February 2013 diff hist +97 Rep:Mod:jd1910 →Calculation of Optimal Transition State Structures via Frozen Coordinate Method
• 15:2715:27, 5 February 2013 diff hist −887 Rep:Mod:jd1910 →Intrinsic Reaction Coordinate (IRC) Analysis of Chair Transition State
• 15:2615:26, 5 February 2013 diff hist +1,344 Rep:Mod:jd1910 →Intrinsic Reaction Coordinate (IRC) Analysis of Chair Transition State
• 15:1615:16, 5 February 2013 diff hist +538 Rep:Mod:jd1910 →Optimising and Frequency of the Boat Transition State Using Method 3
• 15:1015:10, 5 February 2013 diff hist +144 Rep:Mod:jd1910 →Comparison of two chair transition state structures
• 15:0615:06, 5 February 2013 diff hist +115 Rep:Mod:jd1910 →Optimising The Chair Transition State Structure Using Method 1
• 15:0415:04, 5 February 2013 diff hist +148 Rep:Mod:jd1910 →Optimising The Chair Transition State Structure Using Method 1
• 14:5814:58, 5 February 2013 diff hist +18 Rep:Mod:jd1910 →Higher Level Optimisation of Ci app Conformer
• 14:5814:58, 5 February 2013 diff hist +84 Rep:Mod:jd1910 →References
• 14:5714:57, 5 February 2013 diff hist +129 Rep:Mod:jd1910 →Higher Level Optimisation of Ci app Conformer
• 14:5514:55, 5 February 2013 diff hist −5 Rep:Mod:jd1910 →Higher Level Optimisation of Ci app Conformer
• 14:4114:41, 5 February 2013 diff hist +143 Rep:Mod:jd1910 →Searching for optimal Gauche confomer
• 14:3514:35, 5 February 2013 diff hist +18 Rep:Mod:jd1910 →Searching for optimal Gauche confomer
• 14:3414:34, 5 February 2013 diff hist +74 Rep:Mod:jd1910 →References
• 14:3314:33, 5 February 2013 diff hist +297 Rep:Mod:jd1910 →Searching for optimal Gauche confomer
• 14:2214:22, 5 February 2013 diff hist −230 Rep:Mod:jd1910 →Searching for optimal Gauche confomer
• 14:2114:21, 5 February 2013 diff hist −64 Rep:Mod:jd1910 →Searching for optimal Gauche confomer
• 14:2114:21, 5 February 2013 diff hist +258 Rep:Mod:jd1910 →Searching for optimal Gauche confomer
• 14:2014:20, 5 February 2013 diff hist +497 Rep:Mod:jd1910 →Searching for optimal Gauche confomer
• 14:1914:19, 5 February 2013 diff hist 0 N File:Anti4.mol2 No edit summary current
• 14:1914:19, 5 February 2013 diff hist 0 N File:Anti3.mol2 No edit summary current
• 14:1814:18, 5 February 2013 diff hist 0 N File:Anti1.mol2 No edit summary current
• 14:1414:14, 5 February 2013 diff hist +516 Rep:Mod:jd1910 →Searching for optimal Gauche confomer
• 14:1314:13, 5 February 2013 diff hist 0 N File:Gauche6.mol2 No edit summary current