User contributions for Cp2215

17 March 2016

• 15:2015:20, 17 March 2016 diff hist 0 N File:CALUMPATEL OPTIMIZED H2.LOG No edit summary current
• 15:1915:19, 17 March 2016 diff hist 0 CalPat96 →H2
• 15:0515:05, 17 March 2016 diff hist −1 CalPat96 →Questions about bond frequencies of NH3
• 15:0415:04, 17 March 2016 diff hist +1,966 CalPat96 No edit summary
• 15:0315:03, 17 March 2016 diff hist +21 CalPat96 No edit summary
• 15:0315:03, 17 March 2016 diff hist +709 CalPat96 No edit summary
• 14:5814:58, 17 March 2016 diff hist +158 CalPat96 No edit summary
• 14:5514:55, 17 March 2016 diff hist +21 CalPat96 No edit summary
• 14:5314:53, 17 March 2016 diff hist −2 CalPat96 →Image of optimized NH3
• 14:5314:53, 17 March 2016 diff hist −14 CalPat96 No edit summary
• 14:4814:48, 17 March 2016 diff hist −3 CalPat96 No edit summary
• 14:4814:48, 17 March 2016 diff hist −154 CalPat96 No edit summary
• 14:4614:46, 17 March 2016 diff hist +65 CalPat96 No edit summary
• 14:4514:45, 17 March 2016 diff hist −70 CalPat96 No edit summary
• 14:4414:44, 17 March 2016 diff hist −14 CalPat96 No edit summary
• 14:4214:42, 17 March 2016 diff hist −14 CalPat96 No edit summary
• 14:4114:41, 17 March 2016 diff hist +94 CalPat96 No edit summary
• 14:4014:40, 17 March 2016 diff hist +4 CalPat96 No edit summary
• 14:3814:38, 17 March 2016 diff hist +131 CalPat96 No edit summary
• 14:3114:31, 17 March 2016 diff hist +101 CalPat96 No edit summary
• 14:2914:29, 17 March 2016 diff hist 0 N File:CalumPatel Optimized N2.png No edit summary current
• 14:2814:28, 17 March 2016 diff hist +34 CalPat96 No edit summary
• 14:2214:22, 17 March 2016 diff hist −1 CalPat96 →Image of optimized NH3
• 14:2014:20, 17 March 2016 diff hist +1 CalPat96 No edit summary
• 14:1914:19, 17 March 2016 diff hist 0 CalPat96 No edit summary
• 14:1814:18, 17 March 2016 diff hist 0 N File:CALUMPATEL OPTIMIZED N2.LOG No edit summary current
• 14:1714:17, 17 March 2016 diff hist +14 CalPat96 No edit summary
• 14:1714:17, 17 March 2016 diff hist +1,000 CalPat96 No edit summary

14 March 2016

• 17:0217:02, 14 March 2016 diff hist −24 CalPat96 →NBO Charges on NH3
• 16:5916:59, 14 March 2016 diff hist +219 CalPat96 No edit summary
• 16:5716:57, 14 March 2016 diff hist 0 CalPat96 →Bond frequencies of NH3
• 16:5516:55, 14 March 2016 diff hist −1 CalPat96 No edit summary
• 16:5516:55, 14 March 2016 diff hist +101 CalPat96 No edit summary
• 16:5316:53, 14 March 2016 diff hist 0 N File:CalumPatelChargedNH3.png No edit summary current
• 16:4916:49, 14 March 2016 diff hist +649 CalPat96 No edit summary
• 16:3216:32, 14 March 2016 diff hist +131 CalPat96 No edit summary
• 16:2916:29, 14 March 2016 diff hist 0 N File:CalumPatelFreqTable.png No edit summary current
• 16:2116:21, 14 March 2016 diff hist +10 CalPat96 →Image of optimized NH3
• 16:1916:19, 14 March 2016 diff hist 0 N File:CALUMPATEL NH3 OPTF POP.LOG No edit summary current
• 16:1616:16, 14 March 2016 diff hist −7 CalPat96 →Image of optimized NH3
• 16:1216:12, 14 March 2016 diff hist +220 CalPat96 →Image of optimized NH3
• 16:0516:05, 14 March 2016 diff hist −55 CalPat96 No edit summary Tag: Visual edit
• 16:0416:04, 14 March 2016 diff hist +89 CalPat96 No edit summary
• 16:0216:02, 14 March 2016 diff hist +46 N File:Optimized NH3.png A Gaussview image of an optimised NH3 molecule current
• 15:4615:46, 14 March 2016 diff hist +11 CalPat96 →NH3 optimized
• 15:4515:45, 14 March 2016 diff hist +25 CalPat96 →Table showing force and displacement energies of NH3 Tag: Visual edit
• 15:4515:45, 14 March 2016 diff hist −5 CalPat96 →Table showing force and displacement energies of NH3Item
• 15:4315:43, 14 March 2016 diff hist +495 CalPat96 →NH3 optimized Tag: Visual edit: Switched
• 15:1715:17, 14 March 2016 diff hist −1 CalPat96 →Lab 1 Tag: Visual edit
• 15:1615:16, 14 March 2016 diff hist +223 N CalPat96 Created page with " == Lab 1 == === NH3 optimized === >The molecule is NH3 >The calculation method used was RB3LYP >The basis set was 6-31G(d,p) >The final energy is -56.55776873 a.u. >RMS gra..."