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User contributions for Jfg17

Results for Jfg17 talk block log uploads logs

A user with 228 edits. Account created on 19 February 2018.

12:2012:20, 10 May 2019 diff hist 0 N File:JFG TS LOCATION.png No edit summary current
12:0812:08, 10 May 2019 diff hist +173 MRD:JFG17 01347171 →On a potential energy surface diagram, how is the transition state mathematically defined? How can the transition state be identified, and how can it be distinguished from a local minimum of the potential energy surface?
12:0412:04, 10 May 2019 diff hist +90 MRD:JFG17 01347171 →On a potential energy surface diagram, how is the transition state mathematically defined? How can the transition state be identified, and how can it be distinguished from a local minimum of the potential energy surface?
12:0312:03, 10 May 2019 diff hist +969 MRD:JFG17 01347171 →Question 1

23:1423:14, 9 May 2019 diff hist +5 MRD:JFG17 01347171 →Complete the table above by adding the total energy, whether the trajectory is reactive or unreactive, and provide a plot of the trajectory and a small description for what happens along the trajectory. What can you conclude from the table?
23:1323:13, 9 May 2019 diff hist +3 MRD:JFG17 01347171 →Complete the table above by adding the total energy, whether the trajectory is reactive or unreactive, and provide a plot of the trajectory and a small description for what happens along the trajectory. What can you conclude from the table?
23:1323:13, 9 May 2019 diff hist +87 MRD:JFG17 01347171 →Complete the table above by adding the total energy, whether the trajectory is reactive or unreactive, and provide a plot of the trajectory and a small description for what happens along the trajectory. What can you conclude from the table?
23:1123:11, 9 May 2019 diff hist +105 MRD:JFG17 01347171 →Complete the table above by adding the total energy, whether the trajectory is reactive or unreactive, and provide a plot of the trajectory and a small description for what happens along the trajectory. What can you conclude from the table?
23:0923:09, 9 May 2019 diff hist +1 MRD:JFG17 01347171 →Question 6
23:0823:08, 9 May 2019 diff hist +1,454 MRD:JFG17 01347171 No edit summary
23:0523:05, 9 May 2019 diff hist +428 N MRD:JFG17 01347171 Created page with "== Molecular Reaction Dynamics Laboratory == === Question 1 === ==== On a potential energy surface diagram, how is the transition state mathematically defined? How can the tr..."

16:5816:58, 3 May 2019 diff hist +211 Rep:Mod:JFG01347171 →NH3BH3
16:5616:56, 3 May 2019 diff hist 0 N File:JFG energy calculation NH3BH3.txt No edit summary current
16:5616:56, 3 May 2019 diff hist +782 Rep:Mod:JFG01347171 →Gaussian/Gaussview molecules
16:5216:52, 3 May 2019 diff hist 0 N File:NH3 SUM.PNG No edit summary current
16:4916:49, 3 May 2019 diff hist +193 Rep:Mod:JFG01347171 →Borane
16:4716:47, 3 May 2019 diff hist −36 Rep:Mod:JFG01347171 →NH3BH3
16:4716:47, 3 May 2019 diff hist +36 Rep:Mod:JFG01347171 →NH3BH3
16:4716:47, 3 May 2019 diff hist 0 N File:JFG BORANE MO DIAGRAM.png No edit summary current
16:4516:45, 3 May 2019 diff hist −17 Rep:Mod:JFG01347171 →Bromines trans: Al2Br2Cl4
16:4416:44, 3 May 2019 diff hist +185 Rep:Mod:JFG01347171 →Lewis acids and bases project
16:4216:42, 3 May 2019 diff hist +205 Rep:Mod:JFG01347171 →Gaussian/Gaussview molecules
16:4116:41, 3 May 2019 diff hist −5 Rep:Mod:JFG01347171 →NH3BH3
16:3916:39, 3 May 2019 diff hist −8 Rep:Mod:JFG01347171 →Dissociation energy of Bromine trans complex
16:3716:37, 3 May 2019 diff hist −5 Rep:Mod:JFG01347171 →Optimised using B3LYP/6-31G
16:3616:36, 3 May 2019 diff hist 0 Rep:Mod:JFG01347171 →Optimised using B3LYP/6-31G
16:3516:35, 3 May 2019 diff hist +282 Rep:Mod:JFG01347171 →Lewis acids and bases project
16:3316:33, 3 May 2019 diff hist +145 Rep:Mod:JFG01347171 →Gaussian/Gaussview molecules
16:3016:30, 3 May 2019 diff hist 0 File:JFG NH3BH3 RUN2 FREQ 1 C1PG.LOG Jfg17 uploaded a new version of File:JFG NH3BH3 RUN2 FREQ 1 C1PG.LOG current
16:2916:29, 3 May 2019 diff hist 0 N File:JFG BH3 NH3 SUMMARY.PNG No edit summary current
16:2616:26, 3 May 2019 diff hist 0 File:JFG NH3 FREQ2 C3V.LOG Jfg17 uploaded a new version of File:JFG NH3 FREQ2 C3V.LOG current
16:2616:26, 3 May 2019 diff hist 0 N File:JFGT NH3 FREQ DATA.txt No edit summary current
16:2416:24, 3 May 2019 diff hist +128 Rep:Mod:JFG01347171 →Bromines trans: Al2Br2Cl4
16:2116:21, 3 May 2019 diff hist +1 Rep:Mod:JFG01347171 →Dissociation energy of Bromine trans complex
16:1916:19, 3 May 2019 diff hist +450 Rep:Mod:JFG01347171 No edit summary
16:1616:16, 3 May 2019 diff hist −16 Rep:Mod:JFG01347171 →Dissociation energy of Bromine trans complex
16:1616:16, 3 May 2019 diff hist +128 Rep:Mod:JFG01347171 →Lewis acids and bases project
16:1416:14, 3 May 2019 diff hist 0 N File:JFG MO27.png No edit summary current
16:1416:14, 3 May 2019 diff hist 0 N File:JFG MO25.png No edit summary current
16:1416:14, 3 May 2019 diff hist 0 N File:JFG MO17.png No edit summary current
16:1316:13, 3 May 2019 diff hist +1 Rep:Mod:JFG01347171 →Gaussian/Gaussview molecules
16:0316:03, 3 May 2019 diff hist 0 File:JFG NH3 FREQ2 C3V.LOG Jfg17 uploaded a new version of File:JFG NH3 FREQ2 C3V.LOG
16:0116:01, 3 May 2019 diff hist +1 Rep:Mod:JFG01347171 No edit summary
16:0016:00, 3 May 2019 diff hist +53 Rep:Mod:JFG01347171 →Gaussian/Gaussview molecules
13:5213:52, 3 May 2019 diff hist +128 Rep:Mod:JFG01347171 →Dissociation energy of Bromine trans complex
13:5013:50, 3 May 2019 diff hist −1 Rep:Mod:JFG01347171 No edit summary
13:4813:48, 3 May 2019 diff hist +106 Rep:Mod:JFG01347171 →Dissociation energy of Bromine trans complex
13:4513:45, 3 May 2019 diff hist +654 Rep:Mod:JFG01347171 →Al2Br2Cl4
13:4113:41, 3 May 2019 diff hist +174 Rep:Mod:JFG01347171 →Dissociation energy of Bromine trans complex
13:4013:40, 3 May 2019 diff hist 0 N File:JFG MONOMER INPUT.LOG No edit summary current

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