User contributions for Mc1508
Appearance
15 March 2011
- 17:1717:17, 15 March 2011 diff hist +2 Rep:Schlosskat →By Melissa Chan, 00554846
- 17:1717:17, 15 March 2011 diff hist +58 N Rep:Schlosskat New page: ====By Melissa Chan, 00554846==== __TOC ==Introduction==
- 17:1317:13, 15 March 2011 diff hist +49 Schlepschd →Other Molecules current
- 17:0617:06, 15 March 2011 diff hist 0 Schlepschd →Carbonyl Frequencies
- 17:0517:05, 15 March 2011 diff hist −1 Schlepschd →Low Frequencies
- 17:0117:01, 15 March 2011 diff hist +126 Schlepschd →Carbonyl Frequencies
- 17:0117:01, 15 March 2011 diff hist 0 N File:Trans 2Opt IR.jpg No edit summary current
- 17:0017:00, 15 March 2011 diff hist 0 N File:Cis 2Opt IR.jpg No edit summary current
- 16:5916:59, 15 March 2011 diff hist +684 Schlepschd →Low Frequencies
- 16:5516:55, 15 March 2011 diff hist +1,073 Schlepschd →Carbonyl Frequencies
- 16:4716:47, 15 March 2011 diff hist +131 Schlepschd →Carbonyl Frequencies
- 16:4616:46, 15 March 2011 diff hist +1 Schlepschd →Optimisation using the basis set LANL2DZ
- 16:4416:44, 15 March 2011 diff hist +14 Schlepschd →Optimisation using the basis set LANL2DZ
- 16:4316:43, 15 March 2011 diff hist +268 Schlepschd →Low Frequencies
- 16:4016:40, 15 March 2011 diff hist +178 Schlepschd →Vibrational Analysis of the Complex
- 16:4016:40, 15 March 2011 diff hist 0 N File:TRANS OPT2 FREQ.LOG No edit summary current
- 16:3916:39, 15 March 2011 diff hist 0 N File:CIS OPT3 FREQ.LOG No edit summary current
- 16:3816:38, 15 March 2011 diff hist +103 Schlepschd →Vibrational Analysis of TlBr<sub>3</sub>
- 16:3616:36, 15 March 2011 diff hist +11 Schlepschd →NBO Analysis of BH<sub>3</sub>
- 16:3616:36, 15 March 2011 diff hist +88 Schlepschd →NBO Analysis of BH<sub>3</sub>
- 16:3516:35, 15 March 2011 diff hist +1,639 Schlepschd →NBO Analysis of BH<sub>3</sub>
- 16:2716:27, 15 March 2011 diff hist 0 N File:BH3 NBO Analysis log files 1.jpg No edit summary current
- 16:2416:24, 15 March 2011 diff hist 0 N File:BH3 NBO Analysis Chrg.jpg No edit summary current
- 16:1816:18, 15 March 2011 diff hist 0 N File:BH3 OPT2.LOG No edit summary
- 16:1516:15, 15 March 2011 diff hist +343 Schlepschd →Optimisation
- 16:1316:13, 15 March 2011 diff hist +581 Schlepschd →Conclusion
- 16:0916:09, 15 March 2011 diff hist +18 Schlepschd →Other Molecules
- 16:0816:08, 15 March 2011 diff hist 0 Schlepschd →Vibrational Analysis
- 16:0816:08, 15 March 2011 diff hist 0 Schlepschd →MO Analysis of key compounds '''2''', '''4''' and '''5'''
- 16:0816:08, 15 March 2011 diff hist 0 Schlepschd →NBO Analysis
- 16:0716:07, 15 March 2011 diff hist +886 Schlepschd →Optimisation
- 15:5715:57, 15 March 2011 diff hist +102 Schlepschd →Molecule 2
- 15:5615:56, 15 March 2011 diff hist +175 Schlepschd →NBO Analysis
- 15:5015:50, 15 March 2011 diff hist 0 Schlepschd →Molecule 2
- 15:4915:49, 15 March 2011 diff hist +58 Schlepschd →NBO Analysis
- 15:4915:49, 15 March 2011 diff hist 0 N File:3 OPT2 TRANS 3D Charge Colours.jpg No edit summary current
- 15:4715:47, 15 March 2011 diff hist +39 Schlepschd →Optimisation
- 15:4615:46, 15 March 2011 diff hist +201 Schlepschd →Optimisation
- 15:4515:45, 15 March 2011 diff hist 0 N File:3 OPT2 TRANS Mol.mol No edit summary current
- 15:4415:44, 15 March 2011 diff hist +99 Schlepschd →Other Molecules
- 15:4415:44, 15 March 2011 diff hist 0 N File:3 OPT2 TRANS Summary PrtScn.jpg No edit summary current
- 15:3915:39, 15 March 2011 diff hist +479 Schlepschd →MO Analysis of key compounds '''2''', '''4''' and '''5'''
- 15:3515:35, 15 March 2011 diff hist +677 Schlepschd →MO Analysis of key compounds '''2''', '''4''' and '''5'''
- 15:2215:22, 15 March 2011 diff hist +503 Schlepschd →MO Analysis of key compounds '''2''', '''4''' and '''5'''
- 15:2215:22, 15 March 2011 diff hist 0 N File:5 OPT1 LUMO+2.jpg No edit summary current
- 15:2215:22, 15 March 2011 diff hist 0 N File:5 OPT1 LUMO+1.jpg No edit summary current
- 15:2115:21, 15 March 2011 diff hist 0 N File:5 OPT1 LUMO.jpg No edit summary current
- 15:2115:21, 15 March 2011 diff hist 0 N File:5 OPT1 HOMO.jpg No edit summary current
- 15:2015:20, 15 March 2011 diff hist 0 N File:5 OPT1 HOMO-1.jpg No edit summary current
- 15:2015:20, 15 March 2011 diff hist 0 N File:4 OPT2 LUMO+2.jpg No edit summary current