Uploads by Js4811
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 19:37, 21 November 2013 | 9.png (file) |  |
132 KB | Taxol structures. | 6 |
| 19:16, 21 November 2013 | 3b.cml (file) |  |
3 KB | CML structures of cyclopentadiene dimer (exo and endo) and the possible dihydro derivatives of the endo form. | 1 |
| 19:16, 21 November 2013 | Endo2.cml (file) | |
3 KB | CML structures of cyclopentadiene dimer (exo and endo) and the possible dihydro derivatives of the endo form. | 1 |
| 19:16, 21 November 2013 | 3a.cml (file) | |
3 KB | CML structures of cyclopentadiene dimer (exo and endo) and the possible dihydro derivatives of the endo form. | 1 |
| 19:16, 21 November 2013 | Exo1.cml (file) | |
3 KB | CML structures of cyclopentadiene dimer (exo and endo) and the possible dihydro derivatives of the endo form. | 1 |
| 19:10, 21 November 2013 | 3b.png (file) |  |
68 KB | Avogadro structures of cyclopentadiene dimer (exo and endo) and the possible dihydro derivatives of the endo form. | 1 |
| 19:10, 21 November 2013 | Endo2.png (file) |  |
68 KB | Avogadro structures of cyclopentadiene dimer (exo and endo) and the possible dihydro derivatives of the endo form. | 1 |
| 19:10, 21 November 2013 | 3a.png (file) |  |
53 KB | Avogadro structures of cyclopentadiene dimer (exo and endo) and the possible dihydro derivatives of the endo form. | 1 |
| 19:10, 21 November 2013 | Exo1.png (file) |  |
91 KB | Avogadro structures of cyclopentadiene dimer (exo and endo) and the possible dihydro derivatives of the endo form. | 1 |
| 18:46, 21 November 2013 | Cyclopentadienes.png (file) |  |
20 KB | Structures of cyclopentadiene dimer (exo and endo) and the possible dihydro derivatives of the endo form. | 1 |
| 16:08, 1 November 2013 | Ts guess 1 LUMO.cub.jvxl (file) | |
13 KB | desc2 | 2 |
| 16:06, 1 November 2013 | Exo ts LUMO.cub.jvxl (file) | |
19 KB | 1 | |
| 16:06, 1 November 2013 | Exo ts 2 HOMO.cub.xyz (file) | |
832 bytes | 1 | |
| 16:06, 1 November 2013 | Exo ts 2 HOMO.cub.jvxl (file) | |
17 KB | 1 | |
| 16:06, 1 November 2013 | Endo ts LUMO.cub.jvxl (file) | |
19 KB | 1 | |
| 16:06, 1 November 2013 | Endo ts HOMO.cub.xyz (file) | |
832 bytes | 1 | |
| 16:06, 1 November 2013 | Endo ts HOMO.cub.jvxl (file) | |
16 KB | 1 | |
| 15:15, 1 November 2013 | Ts lowest real.gif (file) |  |
959 KB | 2 | |
| 14:48, 1 November 2013 | Ts guess irc start.jpg (file) |  |
33 KB | 2 | |
| 13:56, 1 November 2013 | Endo ts.gif (file) |  |
774 KB | 2 | |
| 13:53, 1 November 2013 | Exo ts.gif (file) |  |
825 KB | 2 | |
| 13:20, 1 November 2013 | Ts guess irc plot.jpg (file) |  |
104 KB | 1 | |
| 13:20, 1 November 2013 | Ts guess irc end.jpg (file) |  |
56 KB | 1 | |
| 13:18, 1 November 2013 | Ts guess 1 LUMO.jpg (file) |  |
157 KB | 1 | |
| 13:18, 1 November 2013 | Ts guess 1 HOMO.jpg (file) |  |
181 KB | 1 | |
| 13:18, 1 November 2013 | Cyclohexadiene LUMO.jpg (file) |  |
95 KB | 3 | |
| 13:18, 1 November 2013 | Cyclohexadiene HOMO.jpg (file) |  |
99 KB | 4 | |
| 13:18, 1 November 2013 | Cis-butadiene HOMO.jpg (file) |  |
320 KB | 2 | |
| 13:18, 1 November 2013 | Anhydride LUMO.jpg (file) |  |
96 KB | 1 | |
| 13:18, 1 November 2013 | Anhydride HOMO.jpg (file) |  |
99 KB | 1 | |
| 13:12, 1 November 2013 | Ethene LUMO.tif (file) | |
688 KB | 1 | |
| 13:11, 1 November 2013 | Ethene HOMO.tif (file) | |
758 KB | 1 | |
| 08:46, 1 November 2013 | Ts guess 1 HOMO.cub.xyz (file) | |
580 bytes | Coordinates file for corresponding .jvxl file | 1 |
| 08:45, 1 November 2013 | Ts guess 1 HOMO.cub.jvxl (file) | |
14 KB | HOMO orbital for Diels Alder transition state of butadiene and ethene | 1 |
| 08:34, 1 November 2013 | Da ts 1.gif (file) |  |
722 KB | Transition state structure of the Diels Alder reaction between butadiene and ethene. Visualisation of the imaginary frequency. | 1 |
| 10:57, 27 October 2013 | Overlaid Anharmonic.png (file) |  |
6 KB | Infrared spectrum of liquid 1,5-hexadiene film from the [http://sdbs.riodb.aist.go.jp/sdbs/cgi-bin/cre_index.cgi SDBS] overlaid with anharmonic frequency calculations at B3LYP/6-31G*. | 1 |
| 10:55, 27 October 2013 | Spectra overlaid.png (file) |  |
6 KB | Change: Fixed the overlay in the previous file, which was due to a confusing wavenumber axis. Infrared spectrum of liquid 1,5-hexadiene film from the [http://sdbs.riodb.aist.go.jp/sdbs/cgi-bin/cre_index.cgi SDBS] overlaid with calculations at B3LYP/6-31G | 2 |
| 17:57, 24 October 2013 | React gauche3 B IR.svg (file) |  |
28 KB | Infrared spectrum of gauche3 conformer of 1,5-hexadiene simulated on B3LYP/6-31G*. | 1 |
| 13:00, 24 October 2013 | React gauche4 js4811.jpg (file) |  |
38 KB | [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:phys3#Optimizing_the_Reactants_and_Products Module 3 (physical)] gauche4 conformation of 1,5-hexadiene | 1 |
| 12:58, 24 October 2013 | React gauche3 js4811.jpg (file) |  |
33 KB | [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:phys3#Optimizing_the_Reactants_and_Products Module 3 (physical)] gauche3 conformation of 1,5-hexadiene | 1 |
| 12:56, 24 October 2013 | React gauche2 js4811.jpg (file) |  |
25 KB | [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:phys3#Optimizing_the_Reactants_and_Products Module 3 (physical)] gauche2 conformation of 1,5-hexadiene | 1 |
| 12:53, 24 October 2013 | React anti2 js4811.jpg (file) |  |
33 KB | [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:phys3#Optimizing_the_Reactants_and_Products Module 3 (physical)] anti2 conformation of 1,5-hexadiene | 1 |
| 12:47, 24 October 2013 | React anti1 js4811.jpg (file) |  |
32 KB | [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:phys3#Optimizing_the_Reactants_and_Products Module 3 (physical)] anti1 conformation of 1,5-hexadiene) | 1 |
| 12:44, 24 October 2013 | React anti1 js4811.tif (file) | |
139 KB | [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:phys3#Optimizing_the_Reactants_and_Products Module 3 (physical)] anti1 conformation of 1,5-hexadiene | 1 |
| 12:35, 24 October 2013 | React gauche4 js4811.mol (file) | |
2 KB | [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:phys3#Optimizing_the_Reactants_and_Products Module 3 (physical)] gauche4 conformation of 1,5-hexadiene | 1 |
| 12:34, 24 October 2013 | React gauche3 js4811.mol (file) | |
2 KB | [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:phys3#Optimizing_the_Reactants_and_Products Module 3 (physical)] gauche3 conformation of 1,5-hexadiene | 1 |
| 12:32, 24 October 2013 | React gauche2 js4811.mol (file) | |
2 KB | [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:phys3#Optimizing_the_Reactants_and_Products Module 3 (physical)] gauche2 conformation of 1,5-hexadiene | 1 |
| 12:30, 24 October 2013 | React anti2 js4811.mol (file) | |
2 KB | [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:phys3#Optimizing_the_Reactants_and_Products Module 3 (physical)] anti2 conformation of 1,5-hexadiene | 1 |
| 12:21, 24 October 2013 | React anti1 js4811.mol (file) | |
2 KB | [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:phys3#Optimizing_the_Reactants_and_Products Module 3 (physical)] anti1 conformation of 1,5-hexadiene | 1 |
| 11:07, 24 October 2013 | 1,5-hexadiene dihedral relaxed scan.svg (file) |  |
24 KB | A different aspect ratio used. A relaxed scan of central dihedral angle in 1,5-hexadiene molecule at HF/3-21G. Computation performed with [http://www.gaussian.com/g_tech/g_ur/m_citation.htm Gaussian 09W64]. Graph generated with [http://www.gaussian.com/g | 2 |
