User contributions for Pg1910

21 January 2014

• 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