User contributions for Jw1707
Appearance
9 February 2010
- 10:5010:50, 9 February 2010 diff hist +609 Rep:Mod:Jw1707 →What is a bond? (your reply should not be more than a paragraph in length)
- 10:3410:34, 9 February 2010 diff hist +621 Rep:Mod:Jw1707 →Why must you use the same method and basis set for both calcualtions?
8 February 2010
- 16:1716:17, 8 February 2010 diff hist +34 Rep:Mod:Jw1707 →BCl3 Optimisation
- 16:0416:04, 8 February 2010 diff hist +32 Rep:Mod:Jw1707 →Optimisation
- 16:0316:03, 8 February 2010 diff hist +136 Rep:Mod:Jw1707 →Compare the the optimised B-Cl bond distances and Cl-B-Cl bond angles to the literature
- 15:5915:59, 8 February 2010 diff hist 0 Rep:Mod:Jw1707 →Compare the the optimised B-Cl bond distances and Cl-B-Cl bond angles to the literature
- 15:5815:58, 8 February 2010 diff hist +198 Rep:Mod:Jw1707 →Compare the the optimised B-Cl bond distances and Cl-B-Cl bond angles to the literature
- 15:4315:43, 8 February 2010 diff hist +149 Rep:Mod:Jw1707 →Compare the the optimised B-Cl bond distances and Cl-B-Cl bond angles to the literature
- 15:3915:39, 8 February 2010 diff hist +223 Rep:Mod:Jw1707 →Compare the the optimised B-Cl bond distances and Cl-B-Cl bond angles to the literature
- 15:2815:28, 8 February 2010 diff hist +1 Rep:Mod:Jw1707 →What is the calculation method?
- 15:0715:07, 8 February 2010 diff hist +1,785 Rep:Mod:Jw1707 No edit summary
5 February 2010
- 14:3814:38, 5 February 2010 diff hist +109 Rep:Mod:Jw1707 →Mini Project: - Influence of ligand field tetragonality on the ground state spin on Nickel Complex
- 13:3613:36, 5 February 2010 diff hist +248 Rep:Mod:Jw1707 →Introduction
- 13:3113:31, 5 February 2010 diff hist +294 Rep:Mod:Jw1707 →Mini Project: - Influence of ligand field tetragonality on the ground state spin on Nickel Complex
- 13:2113:21, 5 February 2010 diff hist +171 Rep:Mod:Jw1707 →Mini Project: - Influence of ligand field tetragonality on the ground state spin on Nickel Complex
- 13:1313:13, 5 February 2010 diff hist −628 Rep:Mod:Jw1707 /* Mini Project: - Normal 0 false false false EN-GB X-NONE X-NONE MicrosoftInternetExplorer4
- 13:1313:13, 5 February 2010 diff hist +732 Rep:Mod:Jw1707 No edit summary
4 February 2010
- 16:0216:02, 4 February 2010 diff hist +1,381 Rep:Mod:Jw1707 No edit summary
- 15:5715:57, 4 February 2010 diff hist +1 Rep:Mod:Jw1707 →Frequency Analysis
- 15:5715:57, 4 February 2010 diff hist −9 Rep:Mod:Jw1707 →Cis and Trans isomers of Mo(CO)4(PCl3)2
- 15:5515:55, 4 February 2010 diff hist +726 Rep:Mod:Jw1707 →Frequency Analysis
- 15:5315:53, 4 February 2010 diff hist +91 Rep:Mod:Jw1707 →Cis and Trans isomers of Mo(CO)4(PCl3)2
- 15:5115:51, 4 February 2010 diff hist +274 Rep:Mod:Jw1707 →Comparison of Relative Energies
- 15:5015:50, 4 February 2010 diff hist +178 Rep:Mod:Jw1707 →Comparison of relative Energies
- 15:4415:44, 4 February 2010 diff hist +55 Rep:Mod:Jw1707 →Cis and Trans isomers of Mo(CO)4(PCl3)2
- 15:4315:43, 4 February 2010 diff hist +581 Rep:Mod:Jw1707 →Cis and Trans isomers of Mo(CO)4(PCl3)2
- 14:5014:50, 4 February 2010 diff hist +505 Rep:Mod:Jw1707 →Frequency Analysis
- 14:3414:34, 4 February 2010 diff hist 0 N File:CisMOopt3IR.out No edit summary current
- 14:3414:34, 4 February 2010 diff hist 0 N File:TransMOopt3IR.out No edit summary current
- 12:2112:21, 4 February 2010 diff hist +389 Rep:Mod:Jw1707 No edit summary
2 February 2010
- 19:2119:21, 2 February 2010 diff hist +258 Rep:Mod:Jw1707 →Frequency Analysis of BH3
- 19:2119:21, 2 February 2010 diff hist 0 N File:BH3 FREQ.LOG No edit summary
- 19:1819:18, 2 February 2010 diff hist 0 N File:BH3 FREQ.mol No edit summary current
- 19:1219:12, 2 February 2010 diff hist +12 Rep:Mod:Jw1707 →Frequency Analysis of BH3
- 19:0619:06, 2 February 2010 diff hist +210 Rep:Mod:Jw1707 →Frequency Analysis of BH3
- 19:0019:00, 2 February 2010 diff hist +36 Rep:Mod:Jw1707 →Secondary Optimisation with better basis set
- 19:0019:00, 2 February 2010 diff hist +36 Rep:Mod:Jw1707 →Secondary Optimisation with better basis set
- 18:5918:59, 2 February 2010 diff hist +66 Rep:Mod:Jw1707 →Cis and Trans isomers of Mo(CO)4(PCl3)2
- 18:5818:58, 2 February 2010 diff hist +36 Rep:Mod:Jw1707 →Initial Optimisation
- 18:5818:58, 2 February 2010 diff hist +28 Rep:Mod:Jw1707 →Cis and Trans isomers of Mo(CO)4(PCl3)2
- 18:5618:56, 2 February 2010 diff hist +4 Rep:Mod:Jw1707 →IR Spectrum
- 18:5518:55, 2 February 2010 diff hist −13 Rep:Mod:Jw1707 →IR Spectrum
- 18:5518:55, 2 February 2010 diff hist +28 Rep:Mod:Jw1707 →IR Spectrum
- 18:5418:54, 2 February 2010 diff hist −1 Rep:Mod:Jw1707 →IR Spectrum
- 18:5418:54, 2 February 2010 diff hist +109 Rep:Mod:Jw1707 No edit summary
- 18:0618:06, 2 February 2010 diff hist −46 Rep:Mod:Jw1707 →Frequency Analysis of BH3
- 18:0318:03, 2 February 2010 diff hist +4 Rep:Mod:Jw1707 No edit summary
- 17:5417:54, 2 February 2010 diff hist +46 Rep:Mod:Jw1707 →BCl3 Optimisation
- 17:5017:50, 2 February 2010 diff hist +49 Rep:Mod:Jw1707 →BH3 Optimisation
- 17:3617:36, 2 February 2010 diff hist +10 Rep:Mod:Jw1707 →BH3 Optimisation