User contributions for Smf115

26 May 2018

• 15:2315:23, 26 May 2018 diff hist +347 OliviaPiniInorganicLab →Energy
• 15:2115:21, 26 May 2018 diff hist +176 Rep:Mod:c01190004 →Vibrational spectrum for NH3-BH3
• 15:2015:20, 26 May 2018 diff hist +418 Rep:Mod:c01190004 →3_1G, B3LYP Optimisation

25 May 2018

• 23:1623:16, 25 May 2018 diff hist +182 ICC:ceh15 →Vibrational spectrum for BH3
• 23:1523:15, 25 May 2018 diff hist +320 ICC:ceh15 →Molectular Orbitals of BH3
• 23:0323:03, 25 May 2018 diff hist +163 Rep:Mod:01181216201805 →BBr3
• 23:0223:02, 25 May 2018 diff hist +289 Rep:Mod:01181216201805 →1. B3LYP/3-21G Calculation Method
• 22:5622:56, 25 May 2018 diff hist +167 Rep:Mod:KM816 →6-31G(d,p) basis set
• 22:5522:55, 25 May 2018 diff hist +516 Rep:Mod:KM816 →Comparison of MO diagram to Gaussian MOs
• 12:2312:23, 25 May 2018 diff hist +583 Nk1016InorgCCL →BH3
• 11:5811:58, 25 May 2018 diff hist +61 JJ1516MOY2 →Calculation Overview
• 11:5111:51, 25 May 2018 diff hist +348 JJ1516MOY2 →Calculation Overview
• 11:4711:47, 25 May 2018 diff hist +203 JJ1516MOY2 →Psuedo-potentials and Mixed Basis Sets
• 11:1011:10, 25 May 2018 diff hist +178 HHC16Y2 →Molecular Orbital Calculations using Gaussian
• 11:0911:09, 25 May 2018 diff hist +340 HHC16Y2 →Borane
• 11:0611:06, 25 May 2018 diff hist +318 HHC16Y2 →Energy of Formation
• 10:5410:54, 25 May 2018 diff hist +194 Rep:Mod:CH1516 →energy calculation[2]
• 10:5310:53, 25 May 2018 diff hist +391 Rep:Mod:CH1516 →vibration spectrum

23 May 2018

• 18:3018:30, 23 May 2018 diff hist +574 Jo416i →Molecular Orbital Analysis current
• 18:2618:26, 23 May 2018 diff hist +78 Rep:Mod:SheridanClohessy →NH3BH3
• 18:2518:25, 23 May 2018 diff hist +348 Rep:Mod:SheridanClohessy →NH3BH3
• 18:2418:24, 23 May 2018 diff hist +376 Rep:Mod:SheridanClohessy →Analysis
• 18:2018:20, 23 May 2018 diff hist +232 Jo416i →BH3 Molecular Orbital Diagram
• 18:1918:19, 23 May 2018 diff hist +150 Jo416i →[N(CH3)3]+
• 18:1918:19, 23 May 2018 diff hist +303 Jo416i →Determining the energy of the dative bond
• 18:1518:15, 23 May 2018 diff hist +127 Rep:Mod:ray2310 →Molecular Orbitals of BH3
• 18:1518:15, 23 May 2018 diff hist +275 Rep:Mod:ray2310 →Vibrational spectrum of BH3
• 18:1318:13, 23 May 2018 diff hist +258 Rep:Mod:ray2310 →Calculation of Association Energy of NH3BH3
• 18:1218:12, 23 May 2018 diff hist +968 Rep:Mod:ray2310 →Comparison of Comparative MOs between Benzene and Borazine
• 17:5317:53, 23 May 2018 diff hist +448 Rep:Mod:ray2310 →Comparison of Charge Distribution between Benzene and Borazine
• 17:5017:50, 23 May 2018 diff hist +154 Rep:Mod:POLS →Molecular Orbital Theory
• 17:4917:49, 23 May 2018 diff hist +264 Rep:Mod:POLS →BBr3
• 17:4617:46, 23 May 2018 diff hist +293 Rep:Mod:POLS →Association Energy
• 17:4517:45, 23 May 2018 diff hist +580 Rep:Mod:POLS →Aromatictiy
• 17:3517:35, 23 May 2018 diff hist +166 Rep:Mod:IGE15 →Computed vs LCAO MO comparison
• 17:3417:34, 23 May 2018 diff hist +271 Rep:Mod:IGE15 →IR Spectrum
• 17:3217:32, 23 May 2018 diff hist +383 Rep:Mod:IGE15 →Charge Distribution
• 17:3017:30, 23 May 2018 diff hist +470 Rep:Mod:IGE15 →Aromaticity Discussion
• 17:2217:22, 23 May 2018 diff hist +283 MMdmd216 →BH3NH3 current
• 17:2017:20, 23 May 2018 diff hist +207 MMdmd216 →BH3
• 17:1817:18, 23 May 2018 diff hist +535 MMdmd216 →The Concept of Aromaticity
• 17:1217:12, 23 May 2018 diff hist +424 MMdmd216 →Molecular Orbitals of Benzene and Borazine
• 17:0617:06, 23 May 2018 diff hist +315 Rep:Mod:MAC01049979lab2 →MO diagram for BH3
• 17:0317:03, 23 May 2018 diff hist +203 Rep:Mod:MAC01049979lab2 →Calculation for the energy of the N-B dative bond
• 17:0317:03, 23 May 2018 diff hist +341 Rep:Mod:MAC01049979lab2 →Investigation into the concept of aromaticity
• 16:5916:59, 23 May 2018 diff hist +29 Rep:Mod:MAC01049979lab2 →Comparison of MOs for Benzene and Borazine
• 16:5716:57, 23 May 2018 diff hist +446 Rep:Mod:MAC01049979lab2 →Comparison of MOs for Benzene and Borazine
• 16:5016:50, 23 May 2018 diff hist +161 CompChem2:mc4716 →Energy Calculation current
• 16:4916:49, 23 May 2018 diff hist +271 CompChem2:mc4716 →Vibrational spectrum for BH3
• 16:4716:47, 23 May 2018 diff hist +1,239 CompChem2:mc4716 →Comparisons