Uploads by Tfi11
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 22:21, 21 March 2014 | TFI FurtherStudy.jpg (file) |  |
3 KB | TFI. Hydrogenated indene variation for possible study. | 1 |
| 17:42, 21 March 2014 | TFI CNMRComparison.png (file) |  |
14 KB | Comparison of 13C NMR data with literature. | 1 |
| 17:52, 20 March 2014 | TFI TaxolDerivatives17and18.jpg (file) |  |
17 KB | TFI. Schematic of di-thiols 17 and 18. | 1 |
| 15:18, 18 March 2014 | TFI TaxolDerivative17 13C TMSinChloroform.svg (file) |  |
22 KB | TFI. Calculated heavy isotope carbon NMR for Taxol derivative 17. | 1 |
| 15:16, 18 March 2014 | TFI TaxolDerivative17 1HNMR TMSinChloroform.svg (file) |  |
34 KB | TFI. Calculated proton NMR for Taxol derivative 17. | 1 |
| 14:17, 18 March 2014 | TFI JacobsenCatalyst CrystalStructurewithSchematic.jpg (file) |  |
120 KB | TFI. (Top) Crystal structure and (bottom) schematic for the Jacobsen Precatalyst | 1 |
| 12:53, 18 March 2014 | TFI ShiPrecursur Crystal structurewithSchematic.jpg (file) |  |
23 KB | TFI. (Top) Crystal structure and (bottom) schematic of the Shi precatalyst. | 1 |
| 16:12, 16 March 2014 | TFI Oxy-CopeRearrangement.png (file) |  |
29 KB | TFI. Schematic detailing the Oxy-Cope rearrangement occurring to produce Taxol intermediates 9 and 10. | 2 |
| 10:40, 14 March 2014 | TFI SOO.jpg (file) |  |
23 KB | TFI. Diagram depicting secondary orbital contributions | 1 |
| 17:27, 13 March 2014 | TFI DicyclopentadieneDimers.png (file) |  |
9 KB | TFI. Diagrammatic representation for the two dimers of cyclopentadiene. | 1 |
| 15:55, 31 January 2014 | TFI BH3 6.jpg (file) |  |
7 KB | Image of mode 6, BH3. | 1 |
| 15:55, 31 January 2014 | TFI BH3 5.jpg (file) |  |
7 KB | Image of mode 5, BH3. | 1 |
| 15:54, 31 January 2014 | TFI BH3 4.jpg (file) |  |
7 KB | Image of mode 4, BH3. | 1 |
| 15:54, 31 January 2014 | TFI BH3 3.jpg (file) |  |
8 KB | Image of mode 3, BH3. | 1 |
| 14:20, 31 January 2014 | TFI MO38 ANALYSIS ANNOTATED.jpg (file) |  |
44 KB | MO38 of isomer 2. TFI. | 1 |
| 14:19, 31 January 2014 | TFI MO40 ANALYSIS ANNOTATED.jpg (file) |  |
55 KB | MO40 of isomer 2. TFI. | 1 |
| 14:19, 31 January 2014 | TFI MO41 ANALYSIS ANNOTATED.jpg (file) |  |
71 KB | MO41 of isomer 2. TFI. | 1 |
| 14:18, 31 January 2014 | TFI MO50 ANALYSIS ANNOTATED.jpg (file) |  |
52 KB | MO50 of isomer 2. TFI. | 1 |
| 14:18, 31 January 2014 | TFI MO54 ANALYSIS ANNOTATED.jpg (file) |  |
39 KB | MO54 of isomer 2. TFI. | 1 |
| 21:38, 30 January 2014 | TFI BH3 2.jpg (file) |  |
10 KB | BH3 Vibration Mode 2. | 1 |
| 21:37, 30 January 2014 | TFI BH3 1.jpg (file) |  |
9 KB | BH3 Frequency Mode 1. | 1 |
| 13:37, 30 January 2014 | TFI DIMER ISOMER4 IR.jpg (file) |  |
279 KB | IR Spectrum, Isomer 4. TFI. | 1 |
| 13:35, 30 January 2014 | TFI DIMER ISOMER3 IR.jpg (file) |  |
236 KB | IR spectrum, Isomer 3. TFI. | 1 |
| 13:34, 30 January 2014 | TFI DIMER ISOMER2 IR.jpg (file) |  |
241 KB | IR spectrum, Isomer 2. TFI. | 1 |
| 13:34, 30 January 2014 | TFI DIMER ISOMER1 IR.jpg (file) |  |
253 KB | IR spectrum, Isomer 1. TFI. | 1 |
| 21:49, 29 January 2014 | TFI BH3 MO.jpg (file) |  |
181 KB | MO diagrammatic representation of calculated NBOs laid onto molecular orbital predictions. TFI. | 1 |
| 16:04, 28 January 2014 | TFI DIMER ISOMER4.jpg (file) |  |
18 KB | Isomer 4 of Dimer. TFI. | 1 |
| 16:03, 28 January 2014 | TFI DIMER ISOMER3.jpg (file) |  |
17 KB | Isomer 3 of Dimer. TFI. | 1 |
| 15:13, 28 January 2014 | TFI DIMER ISOMER2.jpg (file) |  |
17 KB | Isomer 2 of Dimer. TFI. | 1 |
| 14:57, 28 January 2014 | TFI DIMER ISOMER1.jpg (file) |  |
17 KB | Dimer Isomer 1. TFI. | 1 |
| 13:03, 28 January 2014 | TFI BH3NH3 FREQLIST.jpg (file) |  |
36 KB | Frequency list for Ammonia Borane. | 1 |
| 17:19, 27 January 2014 | TFI BH3 NH3 TIGHT.txt (file) |  |
386 KB | Optimisation of NH3BH3 using a 6-31G(d,p) basis set and opt=tight int=ultrafine | 1 |
| 15:42, 27 January 2014 | TFI NH3 NOSYMM TIGHT CHARGEIMAGE.jpg (file) |  |
39 KB | Charge distribution analysis for an optimised molecule of NH3. | 2 |
| 15:25, 27 January 2014 | TFI NH3 NOSYMM TIGHT MO.chk (file) |  |
616 KB | Population analysis for optimised NH3. | 2 |
| 15:02, 27 January 2014 | TFI NH3 NOSYMM TIGHT.txt (file) | |
47 KB | Molecule of NH3 optimised with 6-31G(d,p) basis set and opt=tight int=ultrafine. | 1 |
| 16:48, 24 January 2014 | TFI IRSPECTRUM GaBr3 D3H OPT LanL2DZ.jpg (file) |  |
90 KB | IR spectrum for an optimised molecule of GaBr3. | 1 |
| 16:15, 24 January 2014 | TFI IRSPECTRUM BH3 D3H OPT 631GDP.jpg (file) |  |
106 KB | IR spectrum for a molecule of optimised BH3. | 1 |
| 15:16, 24 January 2014 | TFI BH3 OPT D3H 631GDP FREQ.txt (file) | |
26 KB | BH3 frequency analysis using 6-31G(d,p) basis set. Optimisations required point group to be tightly constrained to D3h. | 1 |
| 15:32, 21 January 2014 | TFI BH3 OPT 631GDP.txt (file) | |
31 KB | Further optimisation of Borane, using 6-31G(d,p) basis set. | 1 |
| 14:22, 21 January 2014 | TFI BH3 OPT GraphicalResults.jpg (file) |  |
99 KB | Energy vs Optimisation step and Root-mean-squared gradient vs Optimisation step. | 1 |
| 21:34, 20 January 2014 | TFI BH3 OPT.txt (file) | |
69 KB | Text document for the optimised BH<sub>3</sub> molecule | 1 |
