User contributions for Jr817

21 May 2019

• 17:5617:56, 21 May 2019 diff hist 0 N File:Jr817 PES determining rts 1.PNG No edit summary current
• 17:5317:53, 21 May 2019 diff hist +730 MRD:jr817 →Trajectories from r1 = r2: locating the transition state
• 15:5615:56, 21 May 2019 diff hist +64 MRD:jr817 →Dynamics from the transition state region
• 15:5615:56, 21 May 2019 diff hist +1 MRD:jr817 →Dynamics from the transition state region
• 15:5615:56, 21 May 2019 diff hist +1 MRD:jr817 →Dynamics from the transition state region
• 15:5515:55, 21 May 2019 diff hist 0 MRD:jr817 →Dynamics from the transition state region
• 15:5515:55, 21 May 2019 diff hist −2 MRD:jr817 →Dynamics from the transition state region
• 15:5515:55, 21 May 2019 diff hist +62 MRD:jr817 →Dynamics from the transition state region
• 15:5515:55, 21 May 2019 diff hist 0 N File:Jr817 PES q2 pic.PNG No edit summary current
• 15:5415:54, 21 May 2019 diff hist 0 N File:Jr817 PES q1 pic.PNG No edit summary current
• 15:2315:23, 21 May 2019 diff hist +203 MRD:jr817 →Dynamics from the transition state region
• 15:2015:20, 21 May 2019 diff hist +267 MRD:jr817 →Dynamics from the transition state region
• 15:1315:13, 21 May 2019 diff hist −1 MRD:jr817 →Dynamics from the transition state region
• 15:1315:13, 21 May 2019 diff hist −1 MRD:jr817 →Dynamics from the transition state region
• 15:1315:13, 21 May 2019 diff hist +421 N MRD:jr817 Created page with "===Dynamics from the transition state region=== The transition state on a potential energy surface diagram (PES) is defined as the saddle point of the PES. This is identified..."

10 May 2019

• 17:0317:03, 10 May 2019 diff hist 0 Rep:Mod:jr817 →Charge Distribution
• 17:0217:02, 10 May 2019 diff hist +734 Rep:Mod:jr817 →Charge Distribution
• 16:5716:57, 10 May 2019 diff hist +112 Rep:Mod:jr817 →Association Energy of NH3BH3
• 16:5516:55, 10 May 2019 diff hist +6 Rep:Mod:jr817 →Charge Distribution
• 16:5416:54, 10 May 2019 diff hist +37 Rep:Mod:jr817 →Association Energy of NH3BH3
• 16:5216:52, 10 May 2019 diff hist +172 Rep:Mod:jr817 →Charge Distribution
• 16:4816:48, 10 May 2019 diff hist +1 Rep:Mod:jr817 →[P(CH3)4]+
• 16:4816:48, 10 May 2019 diff hist +1 Rep:Mod:jr817 →Ionic Liquids Project
• 16:4816:48, 10 May 2019 diff hist +1 Rep:Mod:jr817 →NI3
• 16:4716:47, 10 May 2019 diff hist +220 Rep:Mod:jr817 No edit summary
• 16:4716:47, 10 May 2019 diff hist 0 N File:JR817 NME4 CHARGE.PNG No edit summary current
• 16:4616:46, 10 May 2019 diff hist 0 N File:JR817 PME4 CHARGE.PNG No edit summary current
• 16:4116:41, 10 May 2019 diff hist −1 Rep:Mod:jr817 →Association Energy of NH3BH3
• 16:3916:39, 10 May 2019 diff hist −156 Rep:Mod:jr817 →BH3 Molecular Orbital Diagram
• 16:3916:39, 10 May 2019 diff hist +178 Rep:Mod:jr817 →BH3 Molecular Orbital Diagram
• 16:3816:38, 10 May 2019 diff hist +575 Rep:Mod:jr817 →[N(CH3)4]+ Example MOs
• 16:2516:25, 10 May 2019 diff hist +96 Rep:Mod:jr817 No edit summary
• 16:2316:23, 10 May 2019 diff hist 0 N File:Jr817 Valence MOs.PNG No edit summary current
• 14:1314:13, 10 May 2019 diff hist 0 Rep:Mod:jr817 →NH3BH3
• 14:1314:13, 10 May 2019 diff hist 0 N File:JR817 NH3BH3 FREQ 3.LOG No edit summary current
• 13:1713:17, 10 May 2019 diff hist +2 Rep:Mod:jr817 →NH3BH3
• 13:1613:16, 10 May 2019 diff hist 0 N File:JR817 NH3BH3 FREQ 2.LOG No edit summary current
• 13:1513:15, 10 May 2019 diff hist 0 File:JR817 NH3BH3 FREQ.LOG Jr817 uploaded a new version of File:JR817 NH3BH3 FREQ.LOG current
• 13:1213:12, 10 May 2019 diff hist −10 Rep:Mod:jr817 →NH3BH3
• 13:1113:11, 10 May 2019 diff hist 0 N File:JR817 NH3BH3 summary table.PNG No edit summary current
• 13:1013:10, 10 May 2019 diff hist 0 File:Jr817 NH3BH3 optimisation item table.PNG Jr817 uploaded a new version of File:Jr817 NH3BH3 optimisation item table.PNG current
• 13:0913:09, 10 May 2019 diff hist 0 File:Jr817 NH3BH3 optimisation item table.PNG Jr817 uploaded a new version of File:Jr817 NH3BH3 optimisation item table.PNG
• 13:0713:07, 10 May 2019 diff hist 0 File:Jr817 NH3BH3 optimisation item table.PNG Jr817 uploaded a new version of File:Jr817 NH3BH3 optimisation item table.PNG
• 12:5312:53, 10 May 2019 diff hist +105 Rep:Mod:jr817 →Association Energy of NH3BH3
• 12:3712:37, 10 May 2019 diff hist +12 Rep:Mod:jr817 No edit summary
• 12:3412:34, 10 May 2019 diff hist +1 Rep:Mod:jr817 →[N(CH3)4]+
• 12:2912:29, 10 May 2019 diff hist 0 Rep:Mod:jr817 →Ionic Liquids Project
• 12:2412:24, 10 May 2019 diff hist +82 Rep:Mod:jr817 No edit summary
• 12:2312:23, 10 May 2019 diff hist 0 N File:JR817 P(CH3)4 summary table.PNG No edit summary current
• 12:2212:22, 10 May 2019 diff hist 0 N File:JR817 N(CH3)4 summary table.PNG No edit summary current