User contributions for Jd1910

8 February 2013

• 12:3212:32, 8 February 2013 diff hist 0 Rep:Mod:jd1910 →Higher Level Optimisation of Ci app Conformer
• 12:3112:31, 8 February 2013 diff hist +6 Rep:Mod:jd1910 →Conclusion
• 12:3012:30, 8 February 2013 diff hist −1 Rep:Mod:jd1910 →Calculation of Optimal Transition State Structures via Frozen Coordinate Method
• 12:2912:29, 8 February 2013 diff hist 0 File:ENV IRC 2.gif uploaded a new version of "File:ENV IRC 2.gif" current
• 12:2812:28, 8 February 2013 diff hist −6 Rep:Mod:jd1910 →Calculation of Optimal Transition State Structures via Frozen Coordinate Method
• 12:2712:27, 8 February 2013 diff hist −31 Rep:Mod:jd1910 →Calculation of Optimal Transition State Structures via Frozen Coordinate Method
• 12:2612:26, 8 February 2013 diff hist +204 Rep:Mod:jd1910 →Calculation of Optimal Transition State Structures via Frozen Coordinate Method
• 12:2612:26, 8 February 2013 diff hist 0 N File:IRCGRAPHENV2.jpg No edit summary current
• 12:2412:24, 8 February 2013 diff hist 0 N File:ENV IRC 2.gif No edit summary
• 12:2212:22, 8 February 2013 diff hist 0 N File:IRCGRAPHENV1.jpg No edit summary current
• 12:2012:20, 8 February 2013 diff hist 0 N File:ENV IRC 1.gif No edit summary current
• 12:1712:17, 8 February 2013 diff hist −1 Rep:Mod:jd1910 →Discussion of Endo and Exo Transition State Structures
• 12:1212:12, 8 February 2013 diff hist −662 Rep:Mod:jd1910 →Intrinsic Reaction Coordinate (IRC) Analysis of Chair Transition State
• 12:0912:09, 8 February 2013 diff hist 0 Rep:Mod:jd1910 →Intrinsic Reaction Coordinate (IRC) Analysis of Chair Transition State
• 12:0712:07, 8 February 2013 diff hist 0 File:CHAIR IRCMethod23.gif uploaded a new version of "File:CHAIR IRCMethod23.gif" current
• 12:0512:05, 8 February 2013 diff hist +221 Rep:Mod:jd1910 →Intrinsic Reaction Coordinate (IRC) Analysis of Chair Transition State
• 12:0512:05, 8 February 2013 diff hist 0 N File:CHAIR METHOD23 summary.jpg No edit summary current
• 12:0312:03, 8 February 2013 diff hist 0 N File:IRC GRAPH CHAIR method 23.jpg No edit summary current
• 12:0212:02, 8 February 2013 diff hist 0 N File:CHAIR IRCMethod23.gif No edit summary
• 11:5711:57, 8 February 2013 diff hist +180 Rep:Mod:jd1910 →Calculation of Optimal Transition State Structures via Frozen Coordinate Method
• 11:5711:57, 8 February 2013 diff hist 0 N File:Envelope for jmol2.mol2 No edit summary current
• 11:5311:53, 8 February 2013 diff hist +180 Rep:Mod:jd1910 →Calculation of Optimal Transition State Structures via Frozen Coordinate Method
• 11:5311:53, 8 February 2013 diff hist 0 N File:Envelope for jmol1.mol2 No edit summary current
• 11:4811:48, 8 February 2013 diff hist −529 Rep:Mod:jd1910 →Intrinsic Reaction Coordinate (IRC) Analysis of Chair Transition State
• 11:4611:46, 8 February 2013 diff hist −17 Rep:Mod:jd1910 →Analysis of Endo and Exo Transition States
• 11:4111:41, 8 February 2013 diff hist +65 Rep:Mod:jd1910 →Intrinsic Reaction Coordinate (IRC) Analysis of Chair Transition State
• 11:3211:32, 8 February 2013 diff hist +178 Rep:Mod:jd1910 →Intrinsic Reaction Coordinate (IRC) Analysis of Chair Transition State
• 11:3111:31, 8 February 2013 diff hist 0 N File:CHAIR IRC METHOD1.mol2 No edit summary current
• 11:3011:30, 8 February 2013 diff hist 0 File:CHAIR IRC METHOD1.jpg uploaded a new version of "File:CHAIR IRC METHOD1.jpg" current
• 11:2911:29, 8 February 2013 diff hist 0 File:CHAIR IRC METHOD1 summary.jpg uploaded a new version of "File:CHAIR IRC METHOD1 summary.jpg" current
• 11:2311:23, 8 February 2013 diff hist +23 Rep:Mod:jd1910 →Intrinsic Reaction Coordinate (IRC) Analysis of Chair Transition State
• 11:2211:22, 8 February 2013 diff hist 0 Rep:Mod:jd1910 →Intrinsic Reaction Coordinate (IRC) Analysis of Chair Transition State
• 11:2211:22, 8 February 2013 diff hist +40 Rep:Mod:jd1910 →Intrinsic Reaction Coordinate (IRC) Analysis of Chair Transition State
• 11:2111:21, 8 February 2013 diff hist 0 Rep:Mod:jd1910 →Intrinsic Reaction Coordinate (IRC) Analysis of Chair Transition State
• 11:2011:20, 8 February 2013 diff hist +116 Rep:Mod:jd1910 →Intrinsic Reaction Coordinate (IRC) Analysis of Chair Transition State
• 11:2011:20, 8 February 2013 diff hist 0 N File:IRC GRAPH CHAIR.jpg No edit summary current
• 11:1711:17, 8 February 2013 diff hist 0 File:CHAIR IRC FIRSTRUN summary.jpg uploaded a new version of "File:CHAIR IRC FIRSTRUN summary.jpg" current
• 11:1511:15, 8 February 2013 diff hist 0 File:CHAIR IRC.gif uploaded a new version of "File:CHAIR IRC.gif" current

7 February 2013

• 15:5115:51, 7 February 2013 diff hist +83 Rep:Mod:jd1910 →Calculation of Boat and Chair Activation Energies
• 15:4715:47, 7 February 2013 diff hist 0 Rep:Mod:jd1910 →Calculation of Boat and Chair Activation Energies
• 15:3315:33, 7 February 2013 diff hist −23 Rep:Mod:jd1910 →Optimising and Frequency of the Boat Transition State Using Method 3
• 15:3315:33, 7 February 2013 diff hist −15 Rep:Mod:jd1910 →Comparison of two chair transition state structures
• 15:2515:25, 7 February 2013 diff hist +6 Rep:Mod:jd1910 →Analysis of Endo and Exo Transition States
• 15:2415:24, 7 February 2013 diff hist +1 Rep:Mod:jd1910 →Calculation of Optimal Transition State Structures via Frozen Coordinate Method
• 15:2315:23, 7 February 2013 diff hist +9 Rep:Mod:jd1910 →Calculation of Optimal Transition State Structures via Frozen Coordinate Method
• 15:2215:22, 7 February 2013 diff hist +6 Rep:Mod:jd1910 →Intrinsic Reaction Coordinate (IRC) Analysis of Chair Transition State
• 15:2215:22, 7 February 2013 diff hist +3 Rep:Mod:jd1910 →Optimising and Frequency of the Boat Transition State Using Method 3
• 15:2215:22, 7 February 2013 diff hist +3 Rep:Mod:jd1910 →Optimising and Frequency of the Boat Transition State Using Method 3
• 15:2115:21, 7 February 2013 diff hist +1 Rep:Mod:jd1910 →Optimising Chair Transition State Structure using Method 2
• 15:2115:21, 7 February 2013 diff hist +1 Rep:Mod:jd1910 →Frequency Analysis of app Conformer