User contributions for Mac716

9 May 2018

• 15:2415:24, 9 May 2018 diff hist +20 Rep:Mod:MAC01049979lab2 →Vibration spectrum of BH3
• 15:2415:24, 9 May 2018 diff hist +436 Rep:Mod:MAC01049979lab2 →MO diagram for BH3
• 15:1815:18, 9 May 2018 diff hist +308 Rep:Mod:MAC01049979lab2 →MO diagram for BH3
• 15:0915:09, 9 May 2018 diff hist +171 Rep:Mod:MAC01049979lab2 →MO diagram for BH3
• 15:0715:07, 9 May 2018 diff hist +5 Rep:Mod:MAC01049979lab2 →MO diagram for BH3
• 15:0715:07, 9 May 2018 diff hist −10 Rep:Mod:MAC01049979lab2 →MO diagram for BH3
• 15:0715:07, 9 May 2018 diff hist 0 N File:2mac716 MO diagram2.PNG No edit summary current
• 15:0315:03, 9 May 2018 diff hist +39 Rep:Mod:MAC01049979lab2 →MO diagram for BH3
• 15:0115:01, 9 May 2018 diff hist +39 Rep:Mod:MAC01049979lab2 →Vibration spectrum of BH3
• 15:0115:01, 9 May 2018 diff hist 0 N File:2mac716 MO diagram final.PNG No edit summary current
• 12:4212:42, 9 May 2018 diff hist +360 Rep:Mod:MAC01049979lab2 →Vibration spectrum of BH3
• 12:3412:34, 9 May 2018 diff hist +333 Rep:Mod:MAC01049979lab2 →Vibration spectrum of BH3

8 May 2018

• 16:2316:23, 8 May 2018 diff hist +2 Rep:Mod:MAC01049979lab2 →Vibration spectrum of BH3
• 16:2316:23, 8 May 2018 diff hist +37 Rep:Mod:MAC01049979lab2 →BH3 molecule
• 16:2216:22, 8 May 2018 diff hist 0 N File:2mac716 BH3 IRspectrum.PNG No edit summary current
• 16:2116:21, 8 May 2018 diff hist −9 Rep:Mod:MAC01049979lab2 →Vibration spectrum of BH3
• 16:1516:15, 8 May 2018 diff hist +422 Rep:Mod:MAC01049979lab2 →Vibration spectrum of BH3
• 16:0016:00, 8 May 2018 diff hist +46 Rep:Mod:MAC01049979lab2 →EX3
• 15:5415:54, 8 May 2018 diff hist +3 Rep:Mod:MAC01049979lab2 →Jmol
• 15:5215:52, 8 May 2018 diff hist +1 Rep:Mod:MAC01049979lab2 →Jmol
• 15:5215:52, 8 May 2018 diff hist +201 Rep:Mod:MAC01049979lab2 →EX3
• 15:5015:50, 8 May 2018 diff hist +14 Rep:Mod:MAC01049979lab2 →Low frequency lines from log file
• 15:4715:47, 8 May 2018 diff hist −1 Rep:Mod:MAC01049979lab2 →Low frequency lines from log file=
• 15:4715:47, 8 May 2018 diff hist +192 Rep:Mod:MAC01049979lab2 →Item table for optimisation
• 15:4415:44, 8 May 2018 diff hist +1 Rep:Mod:MAC01049979lab2 →Item table for optimisation
• 15:4415:44, 8 May 2018 diff hist +30 Rep:Mod:MAC01049979lab2 →Item table for optimisation
• 15:4415:44, 8 May 2018 diff hist +6 Rep:Mod:MAC01049979lab2 →Item table for optimisation
• 15:4215:42, 8 May 2018 diff hist +52 Rep:Mod:MAC01049979lab2 →EX3
• 15:4015:40, 8 May 2018 diff hist 0 N File:2MAC716 BH3 OPTIMISATION 6 31GDP FREQ.LOG No edit summary current
• 15:3415:34, 8 May 2018 diff hist +433 Rep:Mod:MAC01049979lab2 →EX3
• 15:3015:30, 8 May 2018 diff hist 0 Rep:Mod:MAC01049979lab2 →Method and basis set: RB3LYP, 6-31G(d,p)
• 15:2915:29, 8 May 2018 diff hist 0 N File:2mac716 optimisation BH3 image info.PNG No edit summary current
• 15:2815:28, 8 May 2018 diff hist −11 Rep:Mod:MAC01049979lab2 →Method and basis set: RB3LYP, 6-31G(d,p)
• 15:2715:27, 8 May 2018 diff hist +11 Rep:Mod:MAC01049979lab2 →Method and basis set: RB3LYP, 6-31G(d,p)
• 15:2515:25, 8 May 2018 diff hist +129 Rep:Mod:MAC01049979lab2 →EX3
• 13:1413:14, 8 May 2018 diff hist +20 N Rep:Mod:MAC01049979lab2 Created page with "===EX₃==="

24 March 2017

• 17:5817:58, 24 March 2017 diff hist −8 Rep:Mod:MAC01049979 →Important Information about optimized N2 molecule
• 17:5817:58, 24 March 2017 diff hist −8 Rep:Mod:MAC01049979 →Important Information about optimized H2 molecule
• 17:5817:58, 24 March 2017 diff hist −8 Rep:Mod:MAC01049979 →Information obtained from the optimization of the ClF3 molecule
• 17:5717:57, 24 March 2017 diff hist −8 Rep:Mod:MAC01049979 →A comparison of the bond lengths obtained for H2SiO using GaussView with a literature value
• 17:5317:53, 24 March 2017 diff hist +1 Rep:Mod:MAC01049979 →Vibrational analysis of H2SiO and comparison to values obtained from literature
• 17:5317:53, 24 March 2017 diff hist +2 Rep:Mod:MAC01049979 →A comparison of the bond lengths obtained for H2SiO using GaussView with a literature value
• 17:5217:52, 24 March 2017 diff hist −1 Rep:Mod:MAC01049979 →A comparison of the bond lengths obtained for H2SiO using Gaussview with a literature value
• 17:5217:52, 24 March 2017 diff hist +1 Rep:Mod:MAC01049979 →Vibrational analysis of H2SiO and comparison to values obtained from literature
• 17:4817:48, 24 March 2017 diff hist +26 Rep:Mod:MAC01049979 →Vibrational analysis of H2SiO and comparison to values obtained from literature
• 17:4517:45, 24 March 2017 diff hist −7 Rep:Mod:MAC01049979 →A comparison of the bond lengths obtained for H2SiO using Gaussview with a literature value
• 17:4417:44, 24 March 2017 diff hist −33 Rep:Mod:MAC01049979 →Further investigation of the bond lengths, vibrations and shape of the molecular orbitals of H2SiO
• 17:4217:42, 24 March 2017 diff hist +4 Rep:Mod:MAC01049979 →Molecular Orbital 5
• 17:4217:42, 24 March 2017 diff hist 0 Rep:Mod:MAC01049979 →Molecular Orbital 5
• 17:4117:41, 24 March 2017 diff hist +6 Rep:Mod:MAC01049979 →Molecular Orbital 4