User contributions for El1612

4 March 2015

• 11:5411:54, 4 March 2015 diff hist +83 Rep:Mod:EL1612/INORG →Inorganic Computational Lab
• 11:5311:53, 4 March 2015 diff hist +68 Rep:Mod:EL1612/INORG →Introduction
• 11:5111:51, 4 March 2015 diff hist +381 Rep:Mod:EL1612/INORG →Optimisation of a BH3 molecule
• 11:2211:22, 4 March 2015 diff hist +111 Rep:Mod:EL1612/INORG →Introduction

3 March 2015

• 13:3513:35, 3 March 2015 diff hist −28 Rep:Mod:EL1612/INORG →Optimisation of a BH3 molecule
• 12:5512:55, 3 March 2015 diff hist +217 Rep:Mod:EL1612/INORG →Introduction
• 12:4312:43, 3 March 2015 diff hist −940 Rep:Mod:EL1612/INORG →Optimisation of a BH3 molecule
• 12:4112:41, 3 March 2015 diff hist +1,820 Rep:Mod:EL1612/INORG →Optimisation of a BH3 molecule
• 12:3312:33, 3 March 2015 diff hist 0 N File:Lennard Jones Potential Fig 2.png No edit summary current
• 11:5311:53, 3 March 2015 diff hist 0 N File:Lennard Jones Potential Fig 1.png No edit summary current
• 11:4511:45, 3 March 2015 diff hist +977 Rep:Mod:EL1612/INORG →Optimisation of a BH3 molecule
• 10:2310:23, 3 March 2015 diff hist +8 Rep:Mod:EL1612/INORG →Optimisation of a BH3 molecule
• 09:5109:51, 3 March 2015 diff hist +214 Rep:Mod:EL1612/INORG →Optimisation of a BH3 molecule

2 March 2015

• 17:4917:49, 2 March 2015 diff hist +701 Rep:Mod:EL1612/INORG →Introduction
• 17:3117:31, 2 March 2015 diff hist +162 Rep:Mod:EL1612/INORG →Introduction
• 17:2917:29, 2 March 2015 diff hist +7 Rep:Mod:EL16121C No edit summary
• 17:2817:28, 2 March 2015 diff hist −7 Rep:Mod:EL16121C →The Cyclopentadiene Dimer
• 17:2317:23, 2 March 2015 diff hist +156 Rep:Mod:EL1612/INORG →Introduction
• 17:1717:17, 2 March 2015 diff hist 0 N File:ELC Items Tables BH3.PNG No edit summary current
• 17:1217:12, 2 March 2015 diff hist +231 Rep:Mod:EL1612/INORG →Introduction
• 16:5616:56, 2 March 2015 diff hist +23 Rep:Mod:EL1612/INORG →Introduction
• 16:5516:55, 2 March 2015 diff hist +995 Rep:Mod:EL1612/INORG →Introduction
• 16:3316:33, 2 March 2015 diff hist 0 N File:ELC BH3 annotated RMS Gradient + Energy Plot.PNG No edit summary current
• 15:4015:40, 2 March 2015 diff hist +904 Rep:Mod:EL1612/INORG No edit summary
• 15:1915:19, 2 March 2015 diff hist 0 N File:Annotated BH3 molecule showing angles.PNG No edit summary current
• 15:0415:04, 2 March 2015 diff hist −40 Rep:Mod:EL1612/INORG →Introduction
• 15:0115:01, 2 March 2015 diff hist 0 Rep:Mod:EL1612/INORG →Introduction
• 15:0015:00, 2 March 2015 diff hist +176 Rep:Mod:EL1612/INORG →Introduction
• 14:5314:53, 2 March 2015 diff hist −276 Rep:Mod:EL1612/INORG No edit summary
• 14:4714:47, 2 March 2015 diff hist 0 N File:ELC BH3 opt March.mol No edit summary current
• 14:4214:42, 2 March 2015 diff hist 0 N File:ELC BH3 opt.LOG No edit summary current
• 14:3814:38, 2 March 2015 diff hist 0 File:ELC BH3 OPT SUMMARY TABLE.PNG El1612 uploaded a new version of "File:ELC BH3 OPT SUMMARY TABLE.PNG" current
• 14:3714:37, 2 March 2015 diff hist 0 N File:ELC BH3 OPT SUMMARY TABLE.PNG No edit summary
• 14:3614:36, 2 March 2015 diff hist +1,469 Rep:Mod:EL1612/INORG No edit summary
• 14:2114:21, 2 March 2015 diff hist +707 Rep:Mod:EL1612/INORG No edit summary
• 13:4513:45, 2 March 2015 diff hist +346 N Rep:Mod:EL1612/INORG Created page with "==<span style="color:#000080"> Introduction </span>== 1. getting familiar with the program. Draw BH3 and label atoms (Put in rotatable image). Also Explore Mol Fragments but d..."

22 December 2014

• 19:4719:47, 22 December 2014 diff hist +161 Rep:Mod:EL16121C →Non-Covalent-Interaction (NCI) analysis of the Transition State of the Shi Catalysed Epoxidation of (R,R)-Trans-Stilbene
• 19:4019:40, 22 December 2014 diff hist +10 Rep:Mod:EL16121C →The Jacobsen Catalysed epoxidation of 1,2-dihydronaphthalene - An analysis of the enantioselectivity of the catalyst
• 19:3819:38, 22 December 2014 diff hist −2 Rep:Mod:EL16121C →The Shi Catalysed epoxidation of trans-β-methylstyrene - An analysis of the enantioselectivity of the catalyst
• 19:3519:35, 22 December 2014 diff hist +13 Rep:Mod:EL16121C →A comparison of the computed 1H and 13C NMR spectra for trans-β-methylstyrene oxide and 1,2-epoxy-1,2,3,4-tetrahydronaphthalene with the literature
• 19:3419:34, 22 December 2014 diff hist +110 Rep:Mod:EL16121C →Chiroptical properties of the epoxides of trans-β-methylstyrene and 1,2-dihydronaphthalene
• 19:2719:27, 22 December 2014 diff hist +26 Rep:Mod:EL16121C →Chiroptical properties of the epoxides of trans-β-methylstyrene and 1,2-dihydronaphthalene
• 18:5918:59, 22 December 2014 diff hist +138 Rep:Mod:EL16121C →Further analysis of the dithioether derivative of an intermediate in the synthesis of Taxol
• 18:5318:53, 22 December 2014 diff hist +2 Rep:Mod:EL16121C →Spectroscopic analysis - The 13C and 1H NMR and the IR spectra of species 3
• 18:5218:52, 22 December 2014 diff hist +34 Rep:Mod:EL16121C →Spectroscopic analysis - The 13C and 1H NMR and the IR spectra of species 3
• 18:4618:46, 22 December 2014 diff hist +4 Rep:Mod:EL16121C →The relative steric energy of a conformer of species 3 and species 4
• 16:4516:45, 22 December 2014 diff hist +1,890 Rep:Mod:EL16121C →Spectroscopic Simulation using Quantum Mechanics - The Density Functional Theory
• 15:0915:09, 22 December 2014 diff hist +241 Rep:Mod:EL16121C →Spectroscopic Simulation using Quantum Mechanics - The Density Functional Theory
• 14:2714:27, 22 December 2014 diff hist +35 Rep:Mod:EL16121C →Atropisomerism in an Intermediate in the Synthesis of Taxol
• 14:2514:25, 22 December 2014 diff hist −1 Rep:Mod:EL16121C →The Cyclopentadiene Dimer