User contributions for Mlw115

15 May 2018

• 14:5314:53, 15 May 2018 diff hist +311 MRD:mlw115RXNDy →Reaction Path: MEP (minimum energy path)
• 14:4914:49, 15 May 2018 diff hist 0 N File:Mlw115 H2H MEP surfaceplot dynamics.png No edit summary current
• 14:4714:47, 15 May 2018 diff hist +161 MRD:mlw115RXNDy →Reaction Path: MEP (minimum energy path)
• 14:4614:46, 15 May 2018 diff hist −34 MRD:mlw115RXNDy →H2 + H
• 14:4514:45, 15 May 2018 diff hist 0 N File:Mlw115 H2H MEP surfaceplot.png No edit summary current
• 14:3714:37, 15 May 2018 diff hist +51 MRD:mlw115RXNDy →H2 + H
• 14:3414:34, 15 May 2018 diff hist −1 MRD:mlw115RXNDy →H2 + H Initial distances rAB = rBC = 0.908
• 14:3314:33, 15 May 2018 diff hist +6 MRD:mlw115RXNDy →H2 + H Initial distances rAB = rBC = 0.908
• 14:3314:33, 15 May 2018 diff hist +328 MRD:mlw115RXNDy →H2 + H
• 14:2914:29, 15 May 2018 diff hist +387 MRD:mlw115RXNDy →H2 + H
• 14:2414:24, 15 May 2018 diff hist +87 MRD:mlw115RXNDy →H2 + H
• 14:2314:23, 15 May 2018 diff hist 0 N File:Mlw115 H2H TS.png No edit summary current
• 14:2214:22, 15 May 2018 diff hist 0 N File:Mlw115 H2H saddle.png No edit summary current
• 14:2214:22, 15 May 2018 diff hist +25 MRD:mlw115RXNDy →H2 + H
• 14:2214:22, 15 May 2018 diff hist 0 N File:Mlw115 H2H TS INDvT.png No edit summary current
• 14:2114:21, 15 May 2018 diff hist +281 MRD:mlw115RXNDy →Reaction Dynamics
• 14:1714:17, 15 May 2018 diff hist +394 MRD:mlw115RXNDy →Reaction Dynamics
• 13:4013:40, 15 May 2018 diff hist +93 MRD:mlw115RXNDy No edit summary Tag: Visual edit
• 13:3813:38, 15 May 2018 diff hist +403 MRD:mlw115RXNDy →Reaction Dynamics
• 12:5512:55, 15 May 2018 diff hist +21 N MRD:mlw115RXNDy Created page with "= Reaction Dynamics ="

11 May 2018

• 17:0517:05, 11 May 2018 diff hist −7 Rep:Mod:MLW1152 →Optimisation
• 17:0517:05, 11 May 2018 diff hist 0 N File:Mw borazine opt.PNG No edit summary current
• 17:0417:04, 11 May 2018 diff hist +43 Rep:Mod:MLW1152 →Investigating Aromaticity
• 16:5616:56, 11 May 2018 diff hist −20 Rep:Mod:MLW1152 →Frequency Analysis
• 16:5416:54, 11 May 2018 diff hist +6 Rep:Mod:MLW1152 →Frequency Analysis
• 16:5216:52, 11 May 2018 diff hist +19 Rep:Mod:MLW1152 →Frequency Analysis
• 16:5116:51, 11 May 2018 diff hist 0 N File:MLW BORAZINE FREQ FINAL.LOG No edit summary current
• 16:4616:46, 11 May 2018 diff hist 0 Rep:Mod:MLW1152 →Optimisation
• 16:4516:45, 11 May 2018 diff hist 0 Rep:Mod:MLW1152 →Optimisation
• 16:4316:43, 11 May 2018 diff hist +15 Rep:Mod:MLW1152 →Frequency Analysis
• 16:4216:42, 11 May 2018 diff hist 0 N File:MLW BORAZINE FREQU OPT.LOG No edit summary current
• 16:2716:27, 11 May 2018 diff hist −3 Rep:Mod:MLW1152 →Opt + Freq
• 16:2616:26, 11 May 2018 diff hist +257 Rep:Mod:MLW1152 →Aromaticity Concepts
• 16:2216:22, 11 May 2018 diff hist +32 Rep:Mod:MLW1152 →Association Energies: Ammonia-Borane
• 16:2216:22, 11 May 2018 diff hist +331 Rep:Mod:MLW1152 →Association Energies: Ammonia-Borane
• 16:1616:16, 11 May 2018 diff hist +87 Rep:Mod:MLW1152 →Association Energies: Ammonia-Borane
• 16:1116:11, 11 May 2018 diff hist +21 Rep:Mod:MLW1152 →Association Energies: Ammonia-Borane
• 16:0516:05, 11 May 2018 diff hist −6 Rep:Mod:MLW1152 →Frequency Analysis
• 16:0516:05, 11 May 2018 diff hist −21 Rep:Mod:MLW1152 →Opt + Freq
• 16:0416:04, 11 May 2018 diff hist +5 Rep:Mod:MLW1152 →Computational Molecular Analysis
• 16:0216:02, 11 May 2018 diff hist +285 Rep:Mod:MLW1152 →Opt + Freq
• 16:0116:01, 11 May 2018 diff hist 0 N File:Mw bh3 opt freq.PNG No edit summary current
• 15:5915:59, 11 May 2018 diff hist +338 Rep:Mod:MLW1152 →BH3
• 15:5815:58, 11 May 2018 diff hist 0 File:BH3 OPT FREQ D3H.LOG Mlw115 uploaded a new version of File:BH3 OPT FREQ D3H.LOG current
• 15:5215:52, 11 May 2018 diff hist +259 Rep:Mod:MLW1152 →MO Comparison
• 15:4315:43, 11 May 2018 diff hist −7 Rep:Mod:MLW1152 →Aromaticity Concepts
• 15:3515:35, 11 May 2018 diff hist +73 Rep:Mod:MLW1152 →Aromaticity Concepts
• 15:3215:32, 11 May 2018 diff hist −95 Rep:Mod:MLW1152 →Investigating Aromaticity
• 15:3015:30, 11 May 2018 diff hist −56 Rep:Mod:MLW1152 →Association Energies: Ammonia-Borane
• 15:2615:26, 11 May 2018 diff hist −19 Rep:Mod:MLW1152 →Optimisation