User contributions for Op116

16 May 2018

• 13:5213:52, 16 May 2018 diff hist −4 OliviaPiniInorganicLab →Association energies: Ammonia-Borane
• 13:5213:52, 16 May 2018 diff hist +1 OliviaPiniInorganicLab →Association energies: Ammonia-Borane
• 13:5113:51, 16 May 2018 diff hist 0 N File:OLIVIAPINI NH3 FREQ.log No edit summary current
• 13:5013:50, 16 May 2018 diff hist 0 N File:NH3 optimisation summarytable.png No edit summary current
• 13:5013:50, 16 May 2018 diff hist +1,033 OliviaPiniInorganicLab No edit summary

15 May 2018

• 16:3416:34, 15 May 2018 diff hist +42 OliviaPiniInorganicLab →Optimising a Molecule of BH3
• 16:1316:13, 15 May 2018 diff hist −2 OliviaPiniInorganicLab No edit summary
• 16:1216:12, 15 May 2018 diff hist +856 OliviaPiniInorganicLab No edit summary
• 15:5215:52, 15 May 2018 diff hist 0 OliviaPiniInorganicLab →Optimising a Molecule of BH3
• 15:5115:51, 15 May 2018 diff hist 0 N File:IBH3MODIAGRAM.png No edit summary current
• 15:5115:51, 15 May 2018 diff hist +55 OliviaPiniInorganicLab No edit summary
• 15:2215:22, 15 May 2018 diff hist 0 N File:OLIVIAPINI BH3 FREQ wiki.log No edit summary current
• 15:2215:22, 15 May 2018 diff hist +54 OliviaPiniInorganicLab →Optimising a Molecule of BH3
• 15:1815:18, 15 May 2018 diff hist +701 OliviaPiniInorganicLab →Optimising a Molecule of BH3
• 15:1215:12, 15 May 2018 diff hist +6 OliviaPiniInorganicLab →Optimising a Molecule of BH3
• 15:1115:11, 15 May 2018 diff hist 0 N File:IRBH3SPECTRUM.png No edit summary current
• 15:1115:11, 15 May 2018 diff hist +28 OliviaPiniInorganicLab No edit summary
• 15:0915:09, 15 May 2018 diff hist +31 OliviaPiniInorganicLab No edit summary
• 15:0815:08, 15 May 2018 diff hist +249 OliviaPiniInorganicLab →Optimising a Molecule of BH3
• 14:5614:56, 15 May 2018 diff hist −3 OliviaPiniInorganicLab No edit summary
• 14:5514:55, 15 May 2018 diff hist +122 OliviaPiniInorganicLab →Optimising a Molecule of BH3
• 14:4714:47, 15 May 2018 diff hist +4 OliviaPiniInorganicLab No edit summary
• 14:4614:46, 15 May 2018 diff hist −4 OliviaPiniInorganicLab No edit summary
• 14:4314:43, 15 May 2018 diff hist 0 N File:OLIVIAPINI BH3 FREQ wiki.LOG No edit summary current
• 14:4314:43, 15 May 2018 diff hist +139 OliviaPiniInorganicLab →Optimising a Molecule of BH3
• 14:3814:38, 15 May 2018 diff hist +1 OliviaPiniInorganicLab →Optimising a Molecule of BH3
• 14:3714:37, 15 May 2018 diff hist +171 OliviaPiniInorganicLab →Optimising a Molecule of BH3
• 14:3514:35, 15 May 2018 diff hist −40 OliviaPiniInorganicLab →Optimising a Molecule of BH3
• 14:3214:32, 15 May 2018 diff hist 0 N File:OLIVIAPINI BH3 FREQ wiki.png No edit summary current
• 14:3214:32, 15 May 2018 diff hist +19 OliviaPiniInorganicLab No edit summary
• 14:3014:30, 15 May 2018 diff hist −9 OliviaPiniInorganicLab →Optimising a Molecule of BH3
• 14:2914:29, 15 May 2018 diff hist −4 OliviaPiniInorganicLab →Optimising a Molecule of BH3
• 14:2814:28, 15 May 2018 diff hist 0 N File:OLIVIAPINI BH3 FREQ.png No edit summary current
• 14:2614:26, 15 May 2018 diff hist 0 N File:OLIVIAPINI BH3 FREQ.LOG No edit summary current
• 14:2614:26, 15 May 2018 diff hist +35 OliviaPiniInorganicLab →Optimising a Molecule of BH3
• 14:1314:13, 15 May 2018 diff hist +210 OliviaPiniInorganicLab →Optimising a Molecule of BH3
• 14:1014:10, 15 May 2018 diff hist 0 N File:BH3 2ndoptimisation summarytable.png No edit summary current
• 14:1014:10, 15 May 2018 diff hist +159 OliviaPiniInorganicLab →Optimising a Molecule of BH3
• 14:0614:06, 15 May 2018 diff hist +451 OliviaPiniInorganicLab →Optimising a Molecule of BH3
• 14:0314:03, 15 May 2018 diff hist 0 N File:BH3 1stoptimisation summarytable.png No edit summary current
• 14:0314:03, 15 May 2018 diff hist +419 OliviaPiniInorganicLab →Optimising a Molecule of BH3
• 12:5412:54, 15 May 2018 diff hist +61 N OliviaPiniInorganicLab Created page with "===Optimising a Molecule of BH3=== Method = B3LYP Basis set ="

11 May 2018

• 16:0016:00, 11 May 2018 diff hist 0 MRD:OliviaPini →Question 7 = Locate the approximate position of the transition state.
• 15:5915:59, 11 May 2018 diff hist +7 MRD:OliviaPini →Question 10 = 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.
• 15:5515:55, 11 May 2018 diff hist +1 MRD:OliviaPini →Question 10 = 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.
• 15:5415:54, 11 May 2018 diff hist +49 MRD:OliviaPini →Question 9 = In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
• 15:5215:52, 11 May 2018 diff hist +346 MRD:OliviaPini →Question 8 = Report the activation energy for both reactions.
• 15:4615:46, 11 May 2018 diff hist +251 MRD:OliviaPini →Question 7 = Locate the approximate position of the transition state.
• 15:4015:40, 11 May 2018 diff hist +2 MRD:OliviaPini →References
• 15:3815:38, 11 May 2018 diff hist −11 MRD:OliviaPini →Question 6 = Classify the F + H2 and H + HF reactions according to their energetics (endothermic or exothermic). How does this relate to the bond strength of the chemical species involved?.