User contributions for Smf115

17 May 2019

• 20:0920:09, 17 May 2019 diff hist +190 Rep:Mod:MSS3117IL →Using a mixture of basis sets and pseudo potentials Example NI3
• 20:0820:08, 17 May 2019 diff hist +422 Rep:Mod:MSS3117IL →BH3 Molecular Orbital Diagram
• 19:5119:51, 17 May 2019 diff hist +417 Rep:Mod:MSS3117IL →Revision

16 May 2019

• 21:5021:50, 16 May 2019 diff hist 0 MRD:01357674 year2 inorganic comp lab →Calculations
• 21:5021:50, 16 May 2019 diff hist +367 MRD:01357674 year2 inorganic comp lab →Calculations
• 21:4421:44, 16 May 2019 diff hist +354 MRD:01357674 year2 inorganic comp lab →NH3BH3
• 21:4121:41, 16 May 2019 diff hist +174 MRD:01357674 year2 inorganic comp lab →EX3 section
• 21:3521:35, 16 May 2019 diff hist +248 Rep:Mod:jr817 →BH3 Molecular Orbital Diagram
• 21:3421:34, 16 May 2019 diff hist +356 Rep:Mod:jr817 →NI3
• 21:2821:28, 16 May 2019 diff hist +243 Rep:Mod:jr817 →BH3 vibrational spectrum
• 21:1621:16, 16 May 2019 diff hist +257 Y2 Inorg Comp Lab:hmr17 →Association Energy
• 21:1521:15, 16 May 2019 diff hist −93 Rep:Mod:Jsr3217 →Association Energy of NH3BH3
• 21:1221:12, 16 May 2019 diff hist +561 Y2 Inorg Comp Lab:hmr17 →BH3
• 20:5920:59, 16 May 2019 diff hist +183 Rep:Mod:Jsr3217 →NH3
• 20:5820:58, 16 May 2019 diff hist +634 Rep:Mod:Jsr3217 →Association Energy of NH3BH3
• 20:5220:52, 16 May 2019 diff hist +370 Rep:Mod:Jsr3217 →Molecular Orbital Diagram for BH3

15 May 2019

• 21:2521:25, 15 May 2019 diff hist +139 Rep:Mod:lxr1998 →NH3 and NH3BH3 Section
• 21:2521:25, 15 May 2019 diff hist +398 Rep:Mod:lxr1998 →Association energy of NH3BH3 formation
• 21:1821:18, 15 May 2019 diff hist +565 Rep:Mod:lxr1998 →Vibration Analysis
• 21:0921:09, 15 May 2019 diff hist +260 Cyn6217 →The association energy of NH3 BH3 (Ammonia Boron)
• 21:0821:08, 15 May 2019 diff hist +205 01198491Year2CompChemLab →BH3 Optimisation
• 20:5920:59, 15 May 2019 diff hist +224 01198491Year2CompChemLab →BH3 Optimisation
• 20:5420:54, 15 May 2019 diff hist +165 Cyn6217 →"heavy molecule" NI3
• 20:4720:47, 15 May 2019 diff hist +429 Cyn6217 →The profile of BH3 (Boron Hydride)
• 20:4220:42, 15 May 2019 diff hist +379 Cyn6217 →The profile of BH3 (Boron Hydride)

13 May 2019

• 21:3021:30, 13 May 2019 diff hist +276 Rep:Mod:SPK2497 →NI3
• 21:3021:30, 13 May 2019 diff hist +343 Rep:Mod:SPK2497 →Association Energy of Ammonia Borane
• 21:2921:29, 13 May 2019 diff hist +478 Rep:Mod:SPK2497 →Molecular orbital Diagram
• 21:2821:28, 13 May 2019 diff hist +272 Cd1017 →Molecules (Part 1) current
• 21:2621:26, 13 May 2019 diff hist +248 Cd1017 →Compare NH3BH3 to Ethane
• 21:2421:24, 13 May 2019 diff hist +367 Cd1017 →The Association Energy of B-N Dative Bond
• 21:2221:22, 13 May 2019 diff hist 0 Inorganic comp3:tsa116 →Molecular Orbital visualisation current
• 21:2121:21, 13 May 2019 diff hist +589 Inorganic comp3:tsa116 →Molecular Orbital visualisation
• 21:1921:19, 13 May 2019 diff hist +342 Inorganic comp3:tsa116 →Discussion on the formal positive charge
• 21:1721:17, 13 May 2019 diff hist +219 Inorganic comp3:tsa116 →Molecular Orbitals
• 21:1721:17, 13 May 2019 diff hist +185 01336632 →Project Section current
• 21:1621:16, 13 May 2019 diff hist +224 01336632 →Molecular Orbitals
• 21:1421:14, 13 May 2019 diff hist +241 01336632 →Vibrational Spectrum for BH3
• 21:1221:12, 13 May 2019 diff hist +530 Rep:Mod:MyPro →An Analysis of Ammonia-Borane
• 21:1121:11, 13 May 2019 diff hist +184 Rep:Mod:MyPro →An Analysis of the IR Spectrum of Borane
• 21:1121:11, 13 May 2019 diff hist +933 Rep:Mod:MyPro →Project Section
• 21:0721:07, 13 May 2019 diff hist +849 Rep:MOD:Year201390203 →Al2Cl4Br2
• 20:5920:59, 13 May 2019 diff hist +398 Rep:MOD:Year201390203 →Energetics and comparison to the monomer, AlCl2Br
• 20:5420:54, 13 May 2019 diff hist +309 Rep:MOD:Year201390203 →Vibrations of the borane molecule
• 20:5020:50, 13 May 2019 diff hist +257 Rep:MOD:Year201390203 →Reaction energetics
• 20:4620:46, 13 May 2019 diff hist +704 Rep:Mod:JFG01347171 →MOs of bromine trans comound
• 20:4320:43, 13 May 2019 diff hist +488 Rep:Mod:JFG01347171 →Dissociation energy of Bromine trans complex
• 20:4220:42, 13 May 2019 diff hist +455 Rep:Mod:JFG01347171 →NH3BH3
• 07:2107:21, 13 May 2019 diff hist +685 Yr2Mod:j cos inorganic 2019 →MO analysis of lower energy isomer (trans terminal Br) current
• 07:1707:17, 13 May 2019 diff hist +1 Yr2Mod:j cos inorganic 2019 →Day 2 and 3 Mini-Project: Lewis Acids