User contributions for Aja4117
Appearance
14 May 2019
- 16:2816:28, 14 May 2019 diff hist −28 MRD:aja4117 →EXERCISE 1: H + H2 system
- 16:2616:26, 14 May 2019 diff hist +251 MRD:aja4117 →EXERCISE 1: H + H2 system
- 16:2416:24, 14 May 2019 diff hist +2,252 MRD:aja4117 No edit summary Tag: Visual edit
- 16:2416:24, 14 May 2019 diff hist 0 N File:Aja4117(dynamics type)Mep vs dynamics momenta vs time1.png No edit summary current
- 16:2316:23, 14 May 2019 diff hist 0 N File:Aja4117(dynamics type)Mep vs dynamics distance v time 1.png No edit summary current
- 16:2116:21, 14 May 2019 diff hist 0 N File:Aja4117dynamics mom vs time1.png No edit summary current
- 16:2016:20, 14 May 2019 diff hist 0 N File:Aja4117Distance vs time 1.png No edit summary current
- 15:1615:16, 14 May 2019 diff hist +26 MRD:aja4117 →EXERCISE 1: H + H2 system
- 15:1515:15, 14 May 2019 diff hist 0 N File:Aja4117q2.PNG No edit summary current
- 15:1515:15, 14 May 2019 diff hist +32 MRD:aja4117 →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?
- 15:1515:15, 14 May 2019 diff hist +1,574 MRD:aja4117 →Molecular reaction dynamics Tag: Visual edit
- 15:1215:12, 14 May 2019 diff hist 0 N File:Aja4117Question 1.png No edit summary current
- 09:2709:27, 14 May 2019 diff hist +40 MRD:aja4117 →EXERCISE 2: F - H - H system
- 09:2609:26, 14 May 2019 diff hist +16 MRD:aja4117 →EXERCISE 1: H + H2 system
- 09:2609:26, 14 May 2019 diff hist +1,103 MRD:aja4117 →Molecular reaction dynamics Tag: Visual edit
- 09:2109:21, 14 May 2019 diff hist +25 MRD:aja4117 →Molecular reaction dynamics
- 09:2009:20, 14 May 2019 diff hist +325 MRD:aja4117 →Molecular reaction dynamics
- 09:2009:20, 14 May 2019 diff hist −379 MRD:aja4117 →Molecular reaction dynamics Tag: Visual edit
- 09:1809:18, 14 May 2019 diff hist +1,267 N MRD:aja4117 Created page with "= '''Molecular reaction dynamics''' = '''Question:''' ''On a potential energy surface diagram, how is the transition state mathematically defi..." Tag: Visual edit
3 May 2019
- 13:4013:40, 3 May 2019 diff hist 0 Rep:MOD:Year201390203 →Vibrations of the borane molecule
- 13:3813:38, 3 May 2019 diff hist 0 Rep:MOD:Year201390203 →Analysis of molecular orbitals
- 13:3813:38, 3 May 2019 diff hist 0 N File:Aja4117(3)Analysis of MO 11.png No edit summary current
- 13:3713:37, 3 May 2019 diff hist 0 File:Aja4117(2)Analysis of MO 11.png Aja4117 uploaded a new version of File:Aja4117(2)Analysis of MO 11.png current
- 13:3613:36, 3 May 2019 diff hist +10 Rep:MOD:Year201390203 →Analysis of molecular orbitals
- 13:3613:36, 3 May 2019 diff hist 0 N File:Aja4117(2)Analysis of MO 11.png No edit summary
- 13:2913:29, 3 May 2019 diff hist +7 Rep:MOD:Year201390203 →Inorganic Comp Day 1
- 13:2913:29, 3 May 2019 diff hist 0 Rep:MOD:Year201390203 →Alcl2Br monomer
- 13:2813:28, 3 May 2019 diff hist +6 Rep:MOD:Year201390203 →Reaction energetics
- 13:2813:28, 3 May 2019 diff hist −1 Rep:MOD:Year201390203 →Image of borane-ammonia adduct
- 13:2813:28, 3 May 2019 diff hist +2 Rep:MOD:Year201390203 →Reaction energetics
- 13:2713:27, 3 May 2019 diff hist +30 Rep:MOD:Year201390203 →Reaction energetics
- 13:2613:26, 3 May 2019 diff hist +25 Rep:MOD:Year201390203 →Reaction energetics
- 13:2513:25, 3 May 2019 diff hist −1 Rep:MOD:Year201390203 →MO diagram of BH3 with calculated molecular orbitals
- 13:2313:23, 3 May 2019 diff hist +199 Rep:MOD:Year201390203 →MO diagram of BH3 with calculated molecular orbitals
- 13:1913:19, 3 May 2019 diff hist −37 Rep:MOD:Year201390203 →Link to original LOG file
- 13:1813:18, 3 May 2019 diff hist −48 Rep:MOD:Year201390203 →Link to original LOG file
- 13:1813:18, 3 May 2019 diff hist +1,147 Rep:MOD:Year201390203 →Al2Cl4Br2
- 13:1113:11, 3 May 2019 diff hist 0 N File:Aja4117ALCL2BR OPT AND FREQ.LOG No edit summary current
- 13:1013:10, 3 May 2019 diff hist 0 N File:Aja4117Alcl2br summary table.PNG No edit summary current
- 13:0913:09, 3 May 2019 diff hist −18 Rep:MOD:Year201390203 →Vibrations of the borane molecule
- 13:0813:08, 3 May 2019 diff hist +1 Rep:MOD:Year201390203 →Vibrations of the borane molecule
- 13:0813:08, 3 May 2019 diff hist +17 Rep:MOD:Year201390203 →Vibrations of the borane molecule
- 13:0713:07, 3 May 2019 diff hist +84 Rep:MOD:Year201390203 →Vibrations of the borane molecule
- 13:0613:06, 3 May 2019 diff hist −1 Rep:MOD:Year201390203 →Image of borane
- 13:0613:06, 3 May 2019 diff hist +8 Rep:MOD:Year201390203 →Vibrations of the borane molecule
- 13:0513:05, 3 May 2019 diff hist −1 Rep:MOD:Year201390203 →Vibrations of the borane molecule
- 13:0513:05, 3 May 2019 diff hist +702 Rep:MOD:Year201390203 →Vibrations of the borane molecule
- 12:4412:44, 3 May 2019 diff hist 0 Rep:MOD:Year201390203 →Convergence and low frequency verification data
- 12:4012:40, 3 May 2019 diff hist 0 Rep:MOD:Year201390203 →Analysis of molecular orbitals
- 12:3912:39, 3 May 2019 diff hist 0 N File:Aja4117(2)Analysis of MO20.png No edit summary current