User contributions for Pk1811

15 November 2013

• 17:2317:23, 15 November 2013 diff hist 0 N File:Pk-nh3bh3-freq.log No edit summary current
• 17:2217:22, 15 November 2013 diff hist 0 N File:Pk-nh3bh3-opt.log No edit summary current
• 17:2217:22, 15 November 2013 diff hist +556 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Energy calculations for NH3BH3
• 17:1617:16, 15 November 2013 diff hist 0 N File:Pk-nh3-egy.log No edit summary current
• 17:1517:15, 15 November 2013 diff hist 0 N File:Pk-nh3-opt.log No edit summary current
• 17:1517:15, 15 November 2013 diff hist 0 N File:Pk-nh3-freq.log No edit summary current
• 17:1417:14, 15 November 2013 diff hist +65 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Molecular orbital and NBO analysis for ammonia
• 17:1317:13, 15 November 2013 diff hist 0 N File:Pk-bh3-freq-forced.log No edit summary current
• 17:1217:12, 15 November 2013 diff hist 0 N File:Pk-bh3-opt-forced.log No edit summary current
• 17:1217:12, 15 November 2013 diff hist 0 N File:Pk-bh3-freq-tight.log No edit summary current
• 17:1117:11, 15 November 2013 diff hist 0 N File:Pk bh3 opt tight.log No edit summary current
• 17:1117:11, 15 November 2013 diff hist 0 N File:Pk-bh3-freq.log No edit summary current
• 17:0817:08, 15 November 2013 diff hist +1,221 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Frequency and vibrational analysis of BH3
• 16:5816:58, 15 November 2013 diff hist +879 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Molecular orbital and NBO analysis for ammonia
• 16:5316:53, 15 November 2013 diff hist 0 N File:Pk-nh3-nbo.PNG No edit summary current
• 16:5216:52, 15 November 2013 diff hist +846 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Molecular orbital and NBO analysis for ammonia
• 15:4415:44, 15 November 2013 diff hist +533 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Energy calculations for NH3BH3
• 15:3915:39, 15 November 2013 diff hist +1,253 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Molecular orbital and NBO analysis for ammonia
• 15:3015:30, 15 November 2013 diff hist +124 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Molecular orbital analysis for BH3
• 15:2915:29, 15 November 2013 diff hist +176 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Molecular orbital analysis for BH3
• 15:2015:20, 15 November 2013 diff hist +2,511 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Part 2: Frequencies, vibrations, orbitals and energies
• 14:4614:46, 15 November 2013 diff hist 0 N File:Pk-ir-gabr3.svg No edit summary current
• 14:4514:45, 15 November 2013 diff hist +6 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Vibrational analysis for GaBr3
• 14:3614:36, 15 November 2013 diff hist +166 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Vibrational analysis for GaBr3

14 November 2013

• 18:1018:10, 14 November 2013 diff hist +1,433 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Visual representation of vibrational peaks
• 15:4415:44, 14 November 2013 diff hist +601 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Visual representation of vibrational peaks
• 15:4115:41, 14 November 2013 diff hist −16 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Visual representation of vibrational peaks
• 15:4115:41, 14 November 2013 diff hist +77 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Visual representation of vibrational peaks
• 15:3815:38, 14 November 2013 diff hist 0 N File:Pk-bh3-Ir.svg No edit summary current
• 15:3815:38, 14 November 2013 diff hist 0 N File:Pk-bh3-6.gif No edit summary current
• 15:3815:38, 14 November 2013 diff hist 0 N File:Pk-bh3-5.gif No edit summary current
• 15:3715:37, 14 November 2013 diff hist 0 N File:Pk-bh3-4.gif No edit summary current
• 15:3715:37, 14 November 2013 diff hist 0 N File:Pk-bh3-3.gif No edit summary current
• 15:3715:37, 14 November 2013 diff hist 0 N File:Pk-bh3-2.gif No edit summary current
• 15:3715:37, 14 November 2013 diff hist 0 N File:Pk-bh3-1.gif No edit summary current
• 15:2415:24, 14 November 2013 diff hist +122 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Visual representation of vibrational peaks
• 14:4614:46, 14 November 2013 diff hist +912 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Frequency and vibrational analysis of BH3
• 14:0414:04, 14 November 2013 diff hist +139 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Frequency and vibrational analysis of BH3
• 13:0913:09, 14 November 2013 diff hist +7,229 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 No edit summary

12 November 2013

• 17:2517:25, 12 November 2013 diff hist +2,319 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →What is a bond?
• 17:0617:06, 12 November 2013 diff hist +1,109 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →In some structures, GaussView does not draw bonds where we expect. Does this mean there is no bond? Why?
• 16:5016:50, 12 November 2013 diff hist −2 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Summary
• 16:4916:49, 12 November 2013 diff hist +2,005 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Summary
• 16:2116:21, 12 November 2013 diff hist +287 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Summary
• 15:2415:24, 12 November 2013 diff hist +52 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Optimisation of BBr3
• 15:2315:23, 12 November 2013 diff hist +280 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Week 1
• 15:2115:21, 12 November 2013 diff hist +3,450 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 No edit summary
• 14:4814:48, 12 November 2013 diff hist +136 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Optimisation of BH3
• 14:4814:48, 12 November 2013 diff hist −114 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Optimisation of GaBr3
• 14:4714:47, 12 November 2013 diff hist +347 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 →Optimisation of BH3