User contributions for Ir208

8 February 2011

• 14:3314:33, 8 February 2011 diff hist +13 Rep:Mod:2ir208 →Computational analysis of molecules belonging to the D_3h point group
• 14:3214:32, 8 February 2011 diff hist +192 Rep:Mod:2ir208 →Vibrational analysis of BH₃
• 14:1914:19, 8 February 2011 diff hist −1 Rep:Mod:2ir208 →Vibrational analysis of BH₃
• 14:1814:18, 8 February 2011 diff hist +813 Rep:Mod:2ir208 →Vibrational analysis of BH₃
• 14:1314:13, 8 February 2011 diff hist 0 N File:Bhs vibs.JPG No edit summary current
• 14:0014:00, 8 February 2011 diff hist −63 Rep:Mod:2ir208 →Computational modelling of BH₃
• 13:5813:58, 8 February 2011 diff hist +388 Rep:Mod:2ir208 →Molecular Orbital analysis
• 13:5113:51, 8 February 2011 diff hist 0 N File:Bh3 charges.JPG No edit summary current
• 13:4713:47, 8 February 2011 diff hist 0 N File:Occupancy.JPG No edit summary current
• 13:4513:45, 8 February 2011 diff hist 0 N File:Natural population.JPG No edit summary current
• 13:4313:43, 8 February 2011 diff hist 0 N File:Natural bond order summary.JPG No edit summary current
• 13:4113:41, 8 February 2011 diff hist +577 Rep:Mod:2ir208 →Computational analysis of molecules belonging to the D_3h point group
• 13:1713:17, 8 February 2011 diff hist 0 N File:MO8b.JPG No edit summary current
• 13:1613:16, 8 February 2011 diff hist 0 N File:MO7b.JPG No edit summary current
• 13:1513:15, 8 February 2011 diff hist 0 N File:MO6b.JPG No edit summary current
• 13:1513:15, 8 February 2011 diff hist 0 N File:MO5b.JPG No edit summary current
• 13:1413:14, 8 February 2011 diff hist 0 N File:MO4b.JPG No edit summary current
• 13:1313:13, 8 February 2011 diff hist 0 N File:MO3b.JPG No edit summary current
• 13:1213:12, 8 February 2011 diff hist 0 N File:MO2b.JPG No edit summary current
• 13:1113:11, 8 February 2011 diff hist 0 N File:MO1ba.JPG No edit summary current
• 13:0613:06, 8 February 2011 diff hist 0 N File:BH3 Mo diagram with energies.JPG No edit summary current
• 13:0313:03, 8 February 2011 diff hist 0 N File:Axial system and symmetry elements for BH3.JPG No edit summary current
• 12:4712:47, 8 February 2011 diff hist −211 Rep:Mod:2ir208 →Computational analysis of molecules belonging to the D_3h point group
• 12:2712:27, 8 February 2011 diff hist +6,622 Rep:Mod:2ir208 →Molecular Orbital Analysis

5 February 2011

• 14:5314:53, 5 February 2011 diff hist +1 Rep:Mod:2ir208 →Geometrical optimisation
• 14:4614:46, 5 February 2011 diff hist +692 Rep:Mod:2ir208 →Molecular orbital analysis of BH3
• 14:2814:28, 5 February 2011 diff hist −206 Rep:Mod:2ir208 →Geometrical optimisation

4 February 2011

• 02:5302:53, 4 February 2011 diff hist +180 Rep:Mod:2ir208 →Vibrational analysis and infrared spectroscopy
• 02:4102:41, 4 February 2011 diff hist +314 Rep:Mod:2ir208 →Vibrational analysis and infrared spectroscopy
• 02:4102:41, 4 February 2011 diff hist 0 N File:Cisopt2advfrequency.out No edit summary current
• 02:3902:39, 4 February 2011 diff hist +64 Rep:Mod:2ir208 →An Organometallic complex: Cis- and Trans-[Mo(CO)₄(PCl₃)₂]
• 02:3802:38, 4 February 2011 diff hist 0 N File:IR cis CO.JPG No edit summary current
• 02:3802:38, 4 February 2011 diff hist 0 N File:IR cis.JPG No edit summary current

3 February 2011

• 01:3801:38, 3 February 2011 diff hist 0 Rep:Mod:2ir208 →Vibrational analysis and infrared spectroscopy
• 01:3701:37, 3 February 2011 diff hist −19 Rep:Mod:2ir208 →An Organometallic complex: Cis and Trans [Mo(CO)₄(PCl₃)₂]
• 01:3201:32, 3 February 2011 diff hist +285 Rep:Mod:2ir208 →Molecular Orbital Analysis
• 01:1401:14, 3 February 2011 diff hist +423 Rep:Mod:2ir208 →Molecular Orbital Analysis
• 00:5500:55, 3 February 2011 diff hist 0 N File:Irspectrumtrans.JPG No edit summary current
• 00:4200:42, 3 February 2011 diff hist 0 N File:Trans2optadvfreq.out No edit summary current

2 February 2011

• 06:0306:03, 2 February 2011 diff hist +206 Rep:Mod:2ir208 →Geometrical optimisation
• 03:0103:01, 2 February 2011 diff hist +31 Rep:Mod:2ir208 →Molecular Orbital Analysis

1 February 2011

• 20:2820:28, 1 February 2011 diff hist −3 Rep:Mod:2ir208 →Molecular Orbital Analysis
• 20:0820:08, 1 February 2011 diff hist +340 Rep:Mod:2ir208 →Molecular orbital analysis of BH3
• 20:0320:03, 1 February 2011 diff hist 0 N File:INESRHEINBERGER BH3 FREQ.LOG No edit summary current
• 19:2619:26, 1 February 2011 diff hist 0 N File:BH3 molvib.mol No edit summary current
• 19:2419:24, 1 February 2011 diff hist 0 N File:BH3 molecule 1st optimisqtion.chk No edit summary current

31 January 2011

• 23:2123:21, 31 January 2011 diff hist +102 Rep:Mod:2ir208 →Geometrical optimisation
• 23:1823:18, 31 January 2011 diff hist 0 N File:Optimised parameters bh3.JPG No edit summary current
• 23:1423:14, 31 January 2011 diff hist 0 N File:Forces converged.JPG No edit summary current
• 23:1323:13, 31 January 2011 diff hist 0 N File:Summary BH3 optimisation.txt No edit summary current