User contributions for Pg1910

22 January 2014

• 15:5015:50, 22 January 2014 diff hist 0 File:PG BH3 freq mode4.gif uploaded a new version of "File:PG BH3 freq mode4.gif" current
• 15:5015:50, 22 January 2014 diff hist 0 File:PG BH3 freq mode3.gif uploaded a new version of "File:PG BH3 freq mode3.gif" current
• 15:5015:50, 22 January 2014 diff hist 0 File:PG BH3 freq mode2.gif uploaded a new version of "File:PG BH3 freq mode2.gif" current
• 15:5015:50, 22 January 2014 diff hist 0 File:PG BH3 freq mode1.gif uploaded a new version of "File:PG BH3 freq mode1.gif" current
• 15:1215:12, 22 January 2014 diff hist +61 Rep:Mod:pg1910x →Frequency Analysis
• 15:1115:11, 22 January 2014 diff hist −12 Rep:Mod:pg1910x →Frequency Analysis
• 15:0915:09, 22 January 2014 diff hist −4 Rep:Mod:pg1910x →Frequency Analysis
• 15:0915:09, 22 January 2014 diff hist +9 Rep:Mod:pg1910x →Frequency Analysis
• 15:0815:08, 22 January 2014 diff hist +37 Rep:Mod:pg1910x →Frequency Analysis
• 15:0815:08, 22 January 2014 diff hist +12 Rep:Mod:pg1910x →Frequency Analysis
• 15:0615:06, 22 January 2014 diff hist +386 Rep:Mod:pg1910x →Frequency Analysis
• 14:5714:57, 22 January 2014 diff hist +25 N File:PG BH3 freq spec.gif Vibrational data from BH3
• 14:5714:57, 22 January 2014 diff hist +25 N File:PG BH3 freq mode6.gif Vibrational data from BH3
• 14:5714:57, 22 January 2014 diff hist +25 N File:PG BH3 freq mode5.gif Vibrational data from BH3
• 14:5714:57, 22 January 2014 diff hist +25 N File:PG BH3 freq mode4.gif Vibrational data from BH3
• 14:5714:57, 22 January 2014 diff hist +25 N File:PG BH3 freq mode3.gif Vibrational data from BH3
• 14:5714:57, 22 January 2014 diff hist +25 N File:PG BH3 freq mode2.gif Vibrational data from BH3
• 14:5714:57, 22 January 2014 diff hist +25 N File:PG BH3 freq mode1.gif Vibrational data from BH3
• 14:4114:41, 22 January 2014 diff hist +2 Rep:Mod:pg1910x →Frequency Analysis
• 14:4114:41, 22 January 2014 diff hist +55 Rep:Mod:pg1910x →Frequency Analysis
• 14:3914:39, 22 January 2014 diff hist +47 N File:PG BH3 freq.log Frequency analysis before symmetry constraining current
• 14:3714:37, 22 January 2014 diff hist +69 N File:PG BH3 freq symcon.log Frequency analysis of BH3 after optimisation with constrained symetry
• 14:2614:26, 22 January 2014 diff hist +588 Rep:Mod:pg1910x →Frequency Analysis
• 14:1014:10, 22 January 2014 diff hist +196 Rep:Mod:pg1910x →Frequency Analysis
• 14:0214:02, 22 January 2014 diff hist +742 Rep:Mod:pg1910x →Analysis
• 13:1513:15, 22 January 2014 diff hist +14 Rep:Mod:pg1910x →What does it mean?
• 13:1413:14, 22 January 2014 diff hist +69 Rep:Mod:pg1910x →What does it mean?

21 January 2014

• 16:3716:37, 21 January 2014 diff hist +9 Rep:Mod:pg1910x →What does it mean?
• 16:2516:25, 21 January 2014 diff hist +57 Rep:Mod:pg1910x →What does it mean?
• 16:2216:22, 21 January 2014 diff hist +6 Rep:Mod:pg1910x →What does it mean?
• 16:2216:22, 21 January 2014 diff hist +112 Rep:Mod:pg1910x →What does it mean?
• 16:2116:21, 21 January 2014 diff hist +23 Rep:Mod:pg1910x →Mixing Basis sets and Pseudo-potentials
• 16:1916:19, 21 January 2014 diff hist +141 Rep:Mod:pg1910x →Mixing Basis sets and Pseudo-potentials
• 16:0916:09, 21 January 2014 diff hist +732 Rep:Mod:pg1910x →Mixing Basis sets and Pseudo-potentials
• 15:3415:34, 21 January 2014 diff hist +262 Rep:Mod:pg1910x →Mixing Basis sets and Pseudo-potentials
• 15:3215:32, 21 January 2014 diff hist +68 N File:PG BBr3 op GEN.txt Optimisation of BBr3 using a mix of Basis-sets and Pseudo-potentials current
• 15:1415:14, 21 January 2014 diff hist +31 Rep:Mod:pg1910x →Mixing Basis sets and Pseudo-potentials
• 15:1315:13, 21 January 2014 diff hist +6 Rep:Mod:pg1910x →Optimising GaBr3
• 15:1215:12, 21 January 2014 diff hist +45 Rep:Mod:pg1910x →Optimising GaBr3
• 15:1015:10, 21 January 2014 diff hist +109 Rep:Mod:pg1910x →Optimising GaBr3
• 14:5014:50, 21 January 2014 diff hist +195 Rep:Mod:pg1910x →Optimising GaBr3
• 14:4514:45, 21 January 2014 diff hist +33 Rep:Mod:pg1910x →Optimising BH3
• 14:4214:42, 21 January 2014 diff hist +110 Rep:Mod:pg1910x →Optimising BH3
• 14:3014:30, 21 January 2014 diff hist +25 Rep:Mod:pg1910x →Optimising BH3
• 14:2714:27, 21 January 2014 diff hist +951 Rep:Mod:pg1910x →Optimising BH3
• 13:2413:24, 21 January 2014 diff hist +644 Rep:Mod:pg1910x →Optimising BH3

20 January 2014

• 16:3016:30, 20 January 2014 diff hist −4 Rep:Mod:pg1910x No edit summary
• 16:1916:19, 20 January 2014 diff hist +107 Rep:Mod:pg1910x No edit summary
• 16:0916:09, 20 January 2014 diff hist +584 N Rep:Mod:pg1910x Created page with "<div class="BH3 Optimisation"> Optimisation of a simple molecule, BH3 {| class="wikitable" |+ Results summery for BH3 using 6-31G (d,p) basis set |- | File Name ||PG_BH3_optimis..."
• 15:3415:34, 20 January 2014 diff hist +57 N File:PG BH3 optimisation 631g dp.log log file for BH3 optimisation using basis set:6-31G (d,p) current