User contributions for Vsj17

23 May 2019

• 11:3811:38, 23 May 2019 diff hist +20 ICL:1905 No edit summary
• 11:3711:37, 23 May 2019 diff hist +45 ICL:1905 →Exercise 1: Borane - BH3
• 11:3611:36, 23 May 2019 diff hist −47 ICL:1905 →Exercise 3: Nitrogen Triiodide - NI3
• 11:3411:34, 23 May 2019 diff hist +5 ICL:1905 No edit summary
• 11:3211:32, 23 May 2019 diff hist +12 ICL:1905 →Exercise 3: Nitrogen Triiodide - NI3
• 11:3211:32, 23 May 2019 diff hist +124 ICL:1905 No edit summary
• 11:3011:30, 23 May 2019 diff hist 0 N File:VSSJ NI3 PP BASIS SET OPT.log No edit summary current
• 11:2911:29, 23 May 2019 diff hist +21 ICL:1905 No edit summary
• 11:1511:15, 23 May 2019 diff hist 0 N File:Ni3 pp basis set summary table.png No edit summary current
• 11:1511:15, 23 May 2019 diff hist +127 ICL:1905 No edit summary
• 11:1111:11, 23 May 2019 diff hist +359 ICL:1905 No edit summary
• 11:0911:09, 23 May 2019 diff hist +304 ICL:1905 →Exercise 3: Nitrogen Triiodide - NI3
• 10:3510:35, 23 May 2019 diff hist +55 ICL:1905 No edit summary
• 10:1110:11, 23 May 2019 diff hist +1 ICL:1905 No edit summary
• 10:1110:11, 23 May 2019 diff hist +2 ICL:1905 No edit summary
• 10:1110:11, 23 May 2019 diff hist +3 ICL:1905 No edit summary
• 10:1010:10, 23 May 2019 diff hist +3 ICL:1905 No edit summary

21 May 2019

• 15:5715:57, 21 May 2019 diff hist +487 ICL:1905 →Exercise 2: Ammonia-Borane
• 15:3915:39, 21 May 2019 diff hist 0 ICL:1905 →Exercise 2: Ammonia-Borane
• 15:3815:38, 21 May 2019 diff hist −3 ICL:1905 →Exercise 2: Ammonia-Borane
• 15:3815:38, 21 May 2019 diff hist +478 ICL:1905 No edit summary
• 15:0815:08, 21 May 2019 diff hist +1 ICL:1905 No edit summary
• 15:0815:08, 21 May 2019 diff hist +2 ICL:1905 No edit summary
• 15:0815:08, 21 May 2019 diff hist +1 ICL:1905 No edit summary
• 15:0715:07, 21 May 2019 diff hist +1 ICL:1905 No edit summary
• 15:0615:06, 21 May 2019 diff hist +53 ICL:1905 No edit summary
• 14:4014:40, 21 May 2019 diff hist +664 ICL:1905 No edit summary
• 14:3214:32, 21 May 2019 diff hist 0 N File:Bh3 infrared spectrum.png No edit summary current
• 14:3214:32, 21 May 2019 diff hist +147 ICL:1905 No edit summary
• 14:2914:29, 21 May 2019 diff hist +587 ICL:1905 No edit summary
• 14:0114:01, 21 May 2019 diff hist −31 ICL:1905 No edit summary
• 14:0014:00, 21 May 2019 diff hist +24 ICL:1905 No edit summary
• 14:0014:00, 21 May 2019 diff hist +26 ICL:1905 No edit summary
• 13:5813:58, 21 May 2019 diff hist 0 ICL:1905 No edit summary
• 13:5613:56, 21 May 2019 diff hist −27 ICL:1905 →Exercise 1: Borane - BH3
• 13:5513:55, 21 May 2019 diff hist +27 ICL:1905 No edit summary
• 13:5413:54, 21 May 2019 diff hist +179 ICL:1905 No edit summary
• 13:5113:51, 21 May 2019 diff hist 0 File:VSSJ BH3 freq.log Vsj17 uploaded a new version of File:VSSJ BH3 freq.log current
• 13:4613:46, 21 May 2019 diff hist 0 N File:VSSJ BH3 freq.log No edit summary
• 13:4513:45, 21 May 2019 diff hist +593 ICL:1905 No edit summary
• 13:3613:36, 21 May 2019 diff hist +132 ICL:1905 No edit summary
• 13:3413:34, 21 May 2019 diff hist 0 N File:Bh3 321G summary table.png No edit summary current
• 13:3413:34, 21 May 2019 diff hist +36 ICL:1905 No edit summary
• 13:3113:31, 21 May 2019 diff hist +69 N ICL:1905 Created page with "== Exercise 1: Borane - BH₃ == === B3LYP/3-21G summary ==="
• 13:3113:31, 21 May 2019 diff hist −69 Talk:ICL:1905 Blanked the page current
• 13:3013:30, 21 May 2019 diff hist +69 N Talk:ICL:1905 Created page with "== Exercise 1: Borane - BH₃ == === B3LYP/3-21G summary ==="

9 May 2019

• 15:5015:50, 9 May 2019 diff hist −2 MRD:1905 →How can the transition state be identified, and how can it be distinguished from a local minimum of the potential energy surface?
• 15:4815:48, 9 May 2019 diff hist +401 MRD:1905 →Discuss how the distribution of energy between different modes (translation and vibration) affect the efficiency of the reaction, and how this is influenced by the position of the transition state.
• 15:4015:40, 9 May 2019 diff hist +298 MRD:1905 →Discuss how the distribution of energy between different modes (translation and vibration) affect the efficiency of the reaction, and how this is influenced by the position of the transition state.
• 15:2815:28, 9 May 2019 diff hist +587 MRD:1905 →Discuss how the distribution of energy between different modes (translation and vibration) affect the efficiency of the reaction, and how this is influenced by the position of the transition state.