User contributions for Jg2011

21 January 2014

• 12:3612:36, 21 January 2014 diff hist +1,384 Rep:Mod:underhill911 →BH3 Optimization with LanL2dz (D3H)
• 12:3412:34, 21 January 2014 diff hist 0 N File:JG BBr3 OPT PPBr GenB T2.log No edit summary current

20 January 2014

• 22:4622:46, 20 January 2014 diff hist 0 Rep:Mod:underhill911 →BH3 Optimization with LanL2dz (D3H)
• 22:4522:45, 20 January 2014 diff hist +513 Rep:Mod:underhill911 →BH3 Optimization with LanL2dz (D3H)
• 22:4522:45, 20 January 2014 diff hist 0 N File:JG BH3 OPT lanL2dz d3hforce.log No edit summary current
• 22:4222:42, 20 January 2014 diff hist +893 Rep:Mod:underhill911 →BBr3 Optimization with LanL2dz (D3H)
• 22:1322:13, 20 January 2014 diff hist +514 Rep:Mod:underhill911 →BBr3 Optimization with LanL2dz (D3H)
• 22:1322:13, 20 January 2014 diff hist 0 N File:JG BBr3 OPT lanL2dz d3hforce.log No edit summary current
• 22:1122:11, 20 January 2014 diff hist +904 Rep:Mod:underhill911 →GaBr3 Optimization with LanL2dz
• 21:5121:51, 20 January 2014 diff hist +293 Rep:Mod:underhill911 →GaBr3 Optimization with LanL2dz
• 21:4821:48, 20 January 2014 diff hist +93 Rep:Mod:underhill911 →GaBr3 Optimization with LanL2dz
• 21:4721:47, 20 January 2014 diff hist −23 Rep:Mod:underhill911 →GaBr3 Optimization with LanL2dz
• 21:4321:43, 20 January 2014 diff hist +552 Rep:Mod:underhill911 →GaBr3 Optimization with LanL2dz
• 21:4221:42, 20 January 2014 diff hist +566 Rep:Mod:underhill911 →BH3 6-31G(d,p) Optimization With Enforced Symmetry
• 21:4021:40, 20 January 2014 diff hist 0 N File:JG GaBr3 OPT lanL2dz d3hforce.log No edit summary current
• 18:3718:37, 20 January 2014 diff hist +10 Rep:Mod:underhill911 →BH3 Optimization for 3-21G Basis Set
• 18:3518:35, 20 January 2014 diff hist +9 Rep:Mod:underhill911 →BH3 6-31G(d,p) OPT
• 18:3218:32, 20 January 2014 diff hist +9 Rep:Mod:underhill911 →BH3 6-31G(d,p) Optimization With Enforced Symmetry
• 18:1418:14, 20 January 2014 diff hist +118 Rep:Mod:underhill911 →BH3 6-31G(d,p) Optimization With Enforced Symmetry
• 18:1318:13, 20 January 2014 diff hist 0 N File:JG BH3 OPT 631G DP C3VSYMFORCED.LOG No edit summary current
• 18:1218:12, 20 January 2014 diff hist +394 Rep:Mod:underhill911 →BH3 6-31G(d,p) Optimization With Enforced Symmetry
• 18:0918:09, 20 January 2014 diff hist 0 Rep:Mod:underhill911 →BH3 6-31G(d,p) OPT
• 18:0818:08, 20 January 2014 diff hist +279 Rep:Mod:underhill911 →BH3 6-31G(d,p) Optimization With Enforced Symmetry
• 18:0518:05, 20 January 2014 diff hist +548 Rep:Mod:underhill911 →BH3 6-31G(d,p) Optimization With Enforced Symmetry
• 16:2816:28, 20 January 2014 diff hist +68 Rep:Mod:underhill911 →BH3 6-31G(d,p) OPT
• 16:2816:28, 20 January 2014 diff hist +4 Rep:Mod:underhill911 →BH3 6-31G(d,p) OPT
• 16:2516:25, 20 January 2014 diff hist +14 Rep:Mod:underhill911 →BH3 6-31G(d,p) OPT
• 16:2416:24, 20 January 2014 diff hist +78 Rep:Mod:underhill911 →BH3 6-31G(d,p) OPT
• 16:2016:20, 20 January 2014 diff hist −4 Rep:Mod:underhill911 →BH3 6-31G(d,p) OPT
• 16:2016:20, 20 January 2014 diff hist +10 Rep:Mod:underhill911 →BH3 6-31G(d,p) OPT
• 16:1616:16, 20 January 2014 diff hist +8 Rep:Mod:underhill911 →BH3 6-31G(d,p) OPT
• 16:1516:15, 20 January 2014 diff hist +86 Rep:Mod:underhill911 →BH3 6-31G(d,p) OPT
• 16:1116:11, 20 January 2014 diff hist +31 Rep:Mod:underhill911 →BH3 Optimization for 3-21G Basis Set
• 16:0716:07, 20 January 2014 diff hist +172 Rep:Mod:underhill911 →BH3 Optimization for 3-21G Basis Set
• 15:5515:55, 20 January 2014 diff hist +176 Rep:Mod:underhill911 →BH3 Optimization for 3-21G Basis Set
• 15:3915:39, 20 January 2014 diff hist +37 Rep:Mod:underhill911 →BH3 Optimization for 3-21G Basis Set
• 15:3815:38, 20 January 2014 diff hist +172 Rep:Mod:underhill911 →BH3 6-31G(d,p) OPT
• 15:1815:18, 20 January 2014 diff hist +346 Rep:Mod:underhill911 →BH3 6-31G(d,p)Optimization With Enforced Symmetry
• 15:1515:15, 20 January 2014 diff hist +66 Rep:Mod:underhill911 →BH3 6-31G(d,p) OPT
• 15:0115:01, 20 January 2014 diff hist +45 Rep:Mod:underhill911 →hi
• 15:0015:00, 20 January 2014 diff hist +82 Rep:Mod:underhill911 →BH3 6-31G(d,p) OPT
• 15:0015:00, 20 January 2014 diff hist +96 N File:JG BH3 OPT 631G DP.LOG The .log file BH₃ using the 6-31G optimization, for other parameters, please see wiki current
• 14:5714:57, 20 January 2014 diff hist +78 Rep:Mod:underhill911 →hi
• 14:5414:54, 20 January 2014 diff hist +101 N File:JG BH3 OPT.LOG The .log file for the optimization of BH₃ using 3-21G. For Summary of parameters, see Wiki current
• 14:4914:49, 20 January 2014 diff hist 0 Rep:Mod:underhill911 →BH3 6-31G(d,p) OPT
• 14:4914:49, 20 January 2014 diff hist +767 Rep:Mod:underhill911 →BH3 6-31G(d,p) OPT
• 14:4214:42, 20 January 2014 diff hist +161 Rep:Mod:underhill911 →new section
• 14:3114:31, 20 January 2014 diff hist +17 Rep:Mod:underhill911 →hi
• 14:3014:30, 20 January 2014 diff hist +8 Rep:Mod:underhill911 No edit summary
• 14:2614:26, 20 January 2014 diff hist +913 N Rep:Mod:underhill911 Created page with "'''Day 1 (initial practice)''' Initially I have made a BH₃ molecule and have altered the '''B-H''' bond lengths to 1.53 ... Optimization for BH₃ with broken..."