User contributions for Jg1009

15 March 2012

• 11:4011:40, 15 March 2012 diff hist 0 N File:Optimisation1Summaryaftersymmetrisationjgh.PNG No edit summary current
• 11:3811:38, 15 March 2012 diff hist +63 Rep:Mod:jgh003 →Optimising the structures of the reactants and products
• 11:3711:37, 15 March 2012 diff hist +46 Rep:Mod:jgh003 →Optimising the structures of the reactants and products
• 11:3711:37, 15 March 2012 diff hist +28 Rep:Mod:jgh003 →Optimising the structures of the reactants and products
• 11:3711:37, 15 March 2012 diff hist 0 N File:Optimisation1Summaryjgh.PNG No edit summary current
• 08:5608:56, 15 March 2012 diff hist +19 Rep:Mod:jgh003 →Introduction
• 08:5608:56, 15 March 2012 diff hist +52 Rep:Mod:jgh003 →Introduction
• 08:5508:55, 15 March 2012 diff hist 0 N File:Coperearrangementjgh.PNG No edit summary current
• 08:5008:50, 15 March 2012 diff hist +4 Rep:Mod:jgh003 →References
• 08:4908:49, 15 March 2012 diff hist +128 Rep:Mod:jgh003 →Part 2- Diels Alder reaction
• 08:3408:34, 15 March 2012 diff hist +19 Rep:Mod:jgh003 →Introduction
• 08:3108:31, 15 March 2012 diff hist −8 Rep:Mod:jgh003 →Part 1- Cope rearrangement
• 08:3108:31, 15 March 2012 diff hist +34 Rep:Mod:jgh003 →Geometry Optimisation
• 08:3008:30, 15 March 2012 diff hist −1 Rep:Mod:jgh003 →Geometry Oprtimisation
• 08:2908:29, 15 March 2012 diff hist +2 Rep:Mod:jgh002 →NBO analysis
• 08:2808:28, 15 March 2012 diff hist +50 Rep:Mod:jgh003 →Part 1- Cope rearrangement
• 08:2808:28, 15 March 2012 diff hist +35 Rep:Mod:jgh003 →Part 1- Cope rearrangement
• 08:2708:27, 15 March 2012 diff hist +1,208 Rep:Mod:jgh003 No edit summary
• 08:2408:24, 15 March 2012 diff hist +6 Rep:Mod:jgh003 No edit summary
• 08:2408:24, 15 March 2012 diff hist +1,581 Rep:Mod:jgh003 No edit summary
• 08:1208:12, 15 March 2012 diff hist +6 Rep:Mod:jgh003 No edit summary
• 08:1208:12, 15 March 2012 diff hist +52 N Rep:Mod:jgh003 Created page with "Julia Gonzalez Holguera Computational Lab - Module 3"

13 March 2012

• 16:0016:00, 13 March 2012 diff hist +532 Rep:Mod:jgh002 No edit summary
• 15:5015:50, 13 March 2012 diff hist +4 Rep:Mod:jgh002 →Conclusion
• 15:4915:49, 13 March 2012 diff hist +17 Rep:Mod:jgh002 →Energies
• 15:4815:48, 13 March 2012 diff hist +6 Rep:Mod:jgh002 →NBO analysis
• 15:4615:46, 13 March 2012 diff hist 0 Rep:Mod:jgh002 →Frequencies
• 15:4615:46, 13 March 2012 diff hist +57 Rep:Mod:jgh002 →Frequencies
• 15:4515:45, 13 March 2012 diff hist −163 Rep:Mod:jgh002 →Frequencies
• 15:4515:45, 13 March 2012 diff hist 0 N File:IRvibrationsB.PNG No edit summary current
• 15:4415:44, 13 March 2012 diff hist 0 N File:IRvibrationsA.PNG No edit summary current
• 15:4415:44, 13 March 2012 diff hist +348 Rep:Mod:jgh002 →Frequencies
• 15:3715:37, 13 March 2012 diff hist +6 Rep:Mod:jgh002 →Geometries Optimisations
• 15:3615:36, 13 March 2012 diff hist −1 Rep:Mod:jgh002 →Conclusion
• 15:3515:35, 13 March 2012 diff hist −12 Rep:Mod:jgh002 →Looking at the geometries
• 15:3115:31, 13 March 2012 diff hist +12 Rep:Mod:jgh002 →Looking at the geometries
• 15:2915:29, 13 March 2012 diff hist −2 Rep:Mod:jgh002 →Looking at the geometries
• 15:2715:27, 13 March 2012 diff hist 0 Rep:Mod:jgh002 →Part 2: An organometallic complex - Cis/Trans isomerism
• 15:2615:26, 13 March 2012 diff hist +1 Rep:Mod:jgh002 →Part 2: An organometallic complex- Cis/Trans isomerism
• 15:2515:25, 13 March 2012 diff hist −11 Rep:Mod:jgh002 →Natural Bond Orbitals - NBOs
• 15:2315:23, 13 March 2012 diff hist +15 Rep:Mod:jgh002 →Part 1: Structural and Molecular Orbital analysis of BH3 and TlBr3
• 15:0115:01, 13 March 2012 diff hist +889 Rep:Mod:jgh002 →Conclusion
• 14:5014:50, 13 March 2012 diff hist +45 Rep:Mod:jgh002 →Conclusion
• 14:4914:49, 13 March 2012 diff hist −16 Rep:Mod:jgh002 →Conclusion
• 14:4014:40, 13 March 2012 diff hist +2 Rep:Mod:jgh002 →Conclusion
• 14:3914:39, 13 March 2012 diff hist −114 Rep:Mod:jgh002 →Conclusion
• 14:3714:37, 13 March 2012 diff hist +915 Rep:Mod:jgh002 →NBO analysis
• 14:3414:34, 13 March 2012 diff hist +120 Rep:Mod:jgh002 →NBO analysis
• 14:3314:33, 13 March 2012 diff hist 0 N File:SOMOandchargedistribution.PNG No edit summary current
• 14:3314:33, 13 March 2012 diff hist 0 N File:HOMOandchargedistribution.PNG No edit summary current