User contributions for Gjs09

8 November 2011

• 13:5113:51, 8 November 2011 diff hist +257 Rep:Mod:gjsmodule3 jackanackanory →Intrinsic Reaction Coordinate Method
• 13:5013:50, 8 November 2011 diff hist 0 N File:RMS GRadient Norm Graph IRC Chair 50 Every Step.jpg No edit summary current
• 13:4813:48, 8 November 2011 diff hist 0 N File:Total Energy Graph IRC Chair 50 Every Step.jpg No edit summary current
• 11:3611:36, 8 November 2011 diff hist −134 Rep:Mod:gjsmodule3 jackanackanory →Intrinsic Reaction Coordinate Method
• 11:3511:35, 8 November 2011 diff hist +204 Rep:Mod:gjsmodule3 jackanackanory →Optimising the Chair and Boat Conformations
• 11:3511:35, 8 November 2011 diff hist +61 Rep:Mod:gjsmodule3 jackanackanory →Intrinsic Reaction Coordinate Method
• 11:3511:35, 8 November 2011 diff hist 0 N File:IRC Chair Once 50 reaction Coord.jpg No edit summary current
• 11:3311:33, 8 November 2011 diff hist 0 N File:IRC Chair Once 50.jpg No edit summary current
• 11:1811:18, 8 November 2011 diff hist 0 Rep:Mod:gjsmodule3 jackanackanory →Boat Transition State
• 11:1511:15, 8 November 2011 diff hist +44 Rep:Mod:gjsmodule3 jackanackanory →Boat Transition State
• 11:1311:13, 8 November 2011 diff hist +187 Rep:Mod:gjsmodule3 jackanackanory →Boat Transition State
• 11:1111:11, 8 November 2011 diff hist 0 N File:Boat Transition State 841cm.gif No edit summary current

7 November 2011

• 17:1117:11, 7 November 2011 diff hist +126 Rep:Mod:gjsmodule3 jackanackanory →Boat Transition State
• 17:0617:06, 7 November 2011 diff hist −1 Rep:Mod:gjsmodule3 jackanackanory →Chair Transition State
• 17:0617:06, 7 November 2011 diff hist +119 Rep:Mod:gjsmodule3 jackanackanory →Boat Transition State
• 16:0316:03, 7 November 2011 diff hist +94 Rep:Mod:gjsmodule3 jackanackanory →Boat Transition State
• 16:0216:02, 7 November 2011 diff hist +57 Rep:Mod:gjsmodule3 jackanackanory →Boat Transition State
• 16:0116:01, 7 November 2011 diff hist 0 N File:Reactant and product numbering.png No edit summary current
• 15:5815:58, 7 November 2011 diff hist +360 Rep:Mod:gjsmodule3 jackanackanory →Boat Transition State
• 15:4515:45, 7 November 2011 diff hist +212 Rep:Mod:gjsmodule3 jackanackanory →Optimising the Chair and Boat Conformations
• 15:4415:44, 7 November 2011 diff hist 0 N File:DFT B3LYP 6-31G (D) QST2 FREQ OPT BOAT Failed Calculation.mol2 No edit summary current
• 15:4115:41, 7 November 2011 diff hist +42 Rep:Mod:gjsmodule3 jackanackanory →DFT B3LYP/6-31G (d) Frequency Calculations
• 15:4115:41, 7 November 2011 diff hist +48 Rep:Mod:gjsmodule3 jackanackanory →DFT B3LYP/6-31G (d) Optimisations of the Anti 1, Anti 2 and Gauche 3 Conformers
• 15:3915:39, 7 November 2011 diff hist +87 Rep:Mod:gjsmodule3 jackanackanory →DFT B3LYP/6-31G (d) Optimisations of the Anti 1, Anti 2 and Gauche 3 Conformers
• 14:4614:46, 7 November 2011 diff hist +440 Rep:Mod:gjsmodule3 jackanackanory →DFT B3LYP/6-31G (d) Frequency Calculations
• 14:4114:41, 7 November 2011 diff hist +93 Rep:Mod:gjsmodule3 jackanackanory →DFT B3LYP/6-31G (d) Frequency Calculations
• 14:3514:35, 7 November 2011 diff hist +202 Rep:Mod:gjsmodule3 jackanackanory →DFT B3LYP/6-31G (d) Frequency Calculations
• 14:2714:27, 7 November 2011 diff hist +845 Rep:Mod:gjsmodule3 jackanackanory →DFT B3LYP/6-31G (d) Frequency Calculations
• 14:2114:21, 7 November 2011 diff hist +153 Rep:Mod:gjsmodule3 jackanackanory →DFT B3LYP/6-31G (d) Frequency Calculations
• 14:1714:17, 7 November 2011 diff hist +41 Rep:Mod:gjsmodule3 jackanackanory No edit summary
• 14:1614:16, 7 November 2011 diff hist +304 Rep:Mod:gjsmodule3 jackanackanory →DFT B3LYP/6-31G (d) Frequency Calculations
• 14:0514:05, 7 November 2011 diff hist −19 Rep:Mod:gjsmodule3 jackanackanory →DFT B3LYP/6-31G (d) Frequency Calculations
• 14:0514:05, 7 November 2011 diff hist +234 Rep:Mod:gjsmodule3 jackanackanory →DFT B3LYP/6-31G (d) Frequency Calculations
• 13:5913:59, 7 November 2011 diff hist −7 Rep:Mod:gjsmodule3 jackanackanory →DFT B3LYP/6-31G (d) Frequency Calculations
• 13:5813:58, 7 November 2011 diff hist +132 Rep:Mod:gjsmodule3 jackanackanory →DFT B3LYP/6-31G (d) Frequency Calculations

6 November 2011

• 18:0318:03, 6 November 2011 diff hist −361 Rep:Mod:gjsmodule3 jackanackanory →DFT B3LYP/6-31G (d) Frequency Calculations
• 18:0118:01, 6 November 2011 diff hist 0 Rep:Mod:gjsmodule3 jackanackanory →DFT B3LYP/6-31G (d) Frequency Calculations
• 18:0018:00, 6 November 2011 diff hist +116 Rep:Mod:gjsmodule3 jackanackanory No edit summary
• 17:5917:59, 6 November 2011 diff hist 0 N File:Orbital overlap Anti 1.png No edit summary current
• 17:4717:47, 6 November 2011 diff hist +515 Rep:Mod:gjsmodule3 jackanackanory →DFT B3LYP/6-31G (d) Frequency Calculations
• 17:4017:40, 6 November 2011 diff hist +724 Rep:Mod:gjsmodule3 jackanackanory →DFT B3LYP/6-31G (d) Frequency Calculations
• 17:2417:24, 6 November 2011 diff hist +718 Rep:Mod:gjsmodule3 jackanackanory →DFT B3LYP/6-31G (d) Frequency Calculations
• 17:1617:16, 6 November 2011 diff hist +194 Rep:Mod:gjsmodule3 jackanackanory →DFT B3LYP/6-31G (d) Frequency Calculations
• 17:1417:14, 6 November 2011 diff hist +1 Rep:Mod:gjsmodule3 jackanackanory →DFT B3LYP/6-31G (d) Frequency Calculations
• 17:1317:13, 6 November 2011 diff hist 0 Rep:Mod:gjsmodule3 jackanackanory →DFT B3LYP/6-31G (d) Frequency Calculations
• 17:1317:13, 6 November 2011 diff hist −12 Rep:Mod:gjsmodule3 jackanackanory →DFT B3LYP/6-31G (d) Frequency Calculations
• 17:1217:12, 6 November 2011 diff hist +12 Rep:Mod:gjsmodule3 jackanackanory →DFT B3LYP/6-31G (d) Frequency Calculations
• 17:1117:11, 6 November 2011 diff hist +224 Rep:Mod:gjsmodule3 jackanackanory →DFT B3LYP/6-31G (d) Frequency Calculations
• 17:1117:11, 6 November 2011 diff hist 0 N File:Dihedral Angles Gauche.jpg No edit summary current
• 17:0817:08, 6 November 2011 diff hist +28 Rep:Mod:gjsmodule3 jackanackanory →Module 3 Jackanackanory!