User contributions for Ss11012

19 November 2014

• 17:0617:06, 19 November 2014 diff hist +223 Rep:Mod:ss11012complab →Optimisation
• 16:5816:58, 19 November 2014 diff hist +210 Rep:Mod:ss11012complab →Optimisation
• 16:4916:49, 19 November 2014 diff hist −1 Rep:Mod:ss11012complab →Optimisations
• 16:4816:48, 19 November 2014 diff hist +19 Rep:Mod:ss11012complab →Calculation links - DSpace
• 16:4716:47, 19 November 2014 diff hist +1 Rep:Mod:ss11012complab →D Space calculation links
• 16:4616:46, 19 November 2014 diff hist 0 Rep:Mod:ss11012complab →D Space calculation links
• 16:4016:40, 19 November 2014 diff hist +12 Rep:Mod:ss11012complab →D Space calculation links
• 16:3216:32, 19 November 2014 diff hist +473 Rep:Mod:ss11012complab →Aromaticity Project
• 12:4812:48, 19 November 2014 diff hist −14 Rep:Mod:ss11012complab →Borazine
• 12:4712:47, 19 November 2014 diff hist −16 Rep:Mod:ss11012complab →Pyridinium
• 12:4712:47, 19 November 2014 diff hist −19 Rep:Mod:ss11012complab →Boratabenzene
• 12:4712:47, 19 November 2014 diff hist −818 Rep:Mod:ss11012complab →Benzene - The reference molecule
• 12:3712:37, 19 November 2014 diff hist 0 N File:Sgbenzenefreqoutput.jpg No edit summary current
• 12:3612:36, 19 November 2014 diff hist 0 N File:Sgbenzeneir.jpg No edit summary current
• 12:2012:20, 19 November 2014 diff hist +677 Rep:Mod:ss11012complab →Optimisation
• 12:1812:18, 19 November 2014 diff hist 0 N File:Benzeneoptoutput.mol No edit summary
• 12:1812:18, 19 November 2014 diff hist 0 N File:Benzeneoptoutput.jpg No edit summary current
• 12:0912:09, 19 November 2014 diff hist −1 Rep:Mod:ss11012complab →B3LYP/6-31G(d,p) Optimisation
• 12:0812:08, 19 November 2014 diff hist +1 Rep:Mod:ss11012complab →B3LYP/6-31G(d,p) Optimisation
• 11:5011:50, 19 November 2014 diff hist +191 Rep:Mod:ss11012complab →Aromaticity Project
• 11:4811:48, 19 November 2014 diff hist +152 Rep:Mod:ss11012complab →Aromaticity Project

18 November 2014

• 22:0222:02, 18 November 2014 diff hist −17 Rep:Mod:ss11012complab →B3LYP/6-31G(d,p) Frequency analysis
• 22:0222:02, 18 November 2014 diff hist −17 Rep:Mod:ss11012complab →B3LYP/6-31G(d,p) Optimisation
• 21:5521:55, 18 November 2014 diff hist +14 Rep:Mod:ss11012complab →Pyridinium
• 21:5321:53, 18 November 2014 diff hist +35 Rep:Mod:ss11012complab →Benzene - The reference molecule
• 21:5121:51, 18 November 2014 diff hist −24 Rep:Mod:ss11012complab →Frequency analysis
• 21:5021:50, 18 November 2014 diff hist +117 Rep:Mod:ss11012complab →Benzene - The reference molecule
• 21:4721:47, 18 November 2014 diff hist +42 Rep:Mod:ss11012complab →Benzene - The reference molecule
• 21:4621:46, 18 November 2014 diff hist 0 Rep:Mod:ss11012complab →Benzene - The Reference molecule
• 21:4621:46, 18 November 2014 diff hist +40 Rep:Mod:ss11012complab →Aromaticity Project
• 21:2721:27, 18 November 2014 diff hist 0 N File:Sg nh3bh3 optoutput1.jpg No edit summary current
• 20:5720:57, 18 November 2014 diff hist −1 Rep:Mod:ss11012complab →Aromaticity Project=
• 20:5620:56, 18 November 2014 diff hist +26 Rep:Mod:ss11012complab →Questions and Optional section
• 20:5520:55, 18 November 2014 diff hist +38 Rep:Mod:ss11012complab →B3LYP/6-31G(d,p) Frequency analysis
• 20:3020:30, 18 November 2014 diff hist +43 Rep:Mod:ss11012complab →B3LYP/6-31G(d,p) Optimisation
• 20:3020:30, 18 November 2014 diff hist +59 Rep:Mod:ss11012complab →B3LYP/6-31G(d,p) Optimisation
• 20:2720:27, 18 November 2014 diff hist +695 Rep:Mod:ss11012complab →B3LYP/6-31G(d,p) Optimisation
• 20:2420:24, 18 November 2014 diff hist 0 N File:Sg nh3bh3 optoutput.mol No edit summary current
• 20:2220:22, 18 November 2014 diff hist 0 N File:Sg nh3bh3 optoutput.jpg No edit summary current
• 20:1020:10, 18 November 2014 diff hist +22 Rep:Mod:ss11012complab →B3LYP/6-31G(d,p) Optimisation
• 19:5119:51, 18 November 2014 diff hist +15 Rep:Mod:ss11012complab →Questions
• 19:4819:48, 18 November 2014 diff hist +37 Rep:Mod:ss11012complab →NH3BH3
• 19:4819:48, 18 November 2014 diff hist +34 Rep:Mod:ss11012complab →NH3 NBO analysis
• 19:2919:29, 18 November 2014 diff hist −1 Rep:Mod:ss11012complab →NH3 NBO analysis
• 19:2819:28, 18 November 2014 diff hist +123 Rep:Mod:ss11012complab →NH3 NBO analysis
• 19:2219:22, 18 November 2014 diff hist +35 Rep:Mod:ss11012complab →NH3 NBO analysis
• 19:2119:21, 18 November 2014 diff hist 0 N File:Sg ammonia chargedis.jpg No edit summary current
• 19:1519:15, 18 November 2014 diff hist +1 Rep:Mod:ss11012complab →NH3 MO analysis
• 19:1019:10, 18 November 2014 diff hist +22 Rep:Mod:ss11012complab →NH3 MO analysis
• 19:0219:02, 18 November 2014 diff hist +34 Rep:Mod:ss11012complab →B3LYP/6-31G(d,p) Frequency analysis