Jump to content

Uploads by Mde14

This special page shows all uploaded files.

File list
First pagePrevious pageNext pageLast page
Date Name Thumbnail Size Description Versions
22:45, 15 December 2016 Mde1490DEG ROTATED CHELETROPIC REACTION OPTMIN PM6.LOG (file) 924 KB alternative cheletropic test - mde14 1
22:43, 15 December 2016 IRC CHELE REACTION.LOG (file) 1.53 MB irc of chele - mde14 1
22:42, 15 December 2016 IRC REACTION.LOG (file) 1.06 MB irc exo reaction - mde14 1
22:41, 15 December 2016 Endo IRC PM6.LOG (file) 924 KB irc of endo diels ex 3 - mde14 1
22:37, 15 December 2016 Exo ts vibe.gif (file) 430 KB exo ts vibe - mde14 1
22:36, 15 December 2016 Endo ts vibe.gif (file) 474 KB endo ts vibe - mde14 1
22:35, 15 December 2016 Chele ts vibe.gif (file) 482 KB ts chele vibration - mde14 1
22:28, 15 December 2016 Mde14UNFROZEN CHELE TSBERNY PM6 - converged.LOG (file) 249 KB cheletropic ts - mde14 1
22:26, 15 December 2016 Mde14Endo TSBERNY PM6 worked.LOG (file) 327 KB endo ts for diels alder product - mde14 1
22:25, 15 December 2016 Mde14exoUNFROZEN TSBERNY PM6 worked.LOG (file) 215 KB ts of exo diels alder ex 3 - mde14 1
22:12, 15 December 2016 Mde14Exo ts vibe.gif (file) 575 KB exo ts vibe - mde14 1
22:11, 15 December 2016 Mde14Endo ts animated.gif (file) 961 KB ts endo animated 1
21:29, 15 December 2016 EXO B3LYP OPTMIN.LOG (file) 767 KB exo product of exercise 2 - mde14 1
21:27, 15 December 2016 EXO B3LYP TSBERNY - worked.LOG (file) 465 KB exo ts for exercise 2 - mde14 1
21:26, 15 December 2016 Mde14Endoproduct final.log (file) 615 KB endo product exercise 2 - mde14 1
21:25, 15 December 2016 Mde14Ts endo b3lyp.log (file) 464 KB ts for endo product exercise 2 - mde14 1
21:22, 15 December 2016 Mde14DIOXOLE OPTB3LYP.LOG (file) 116 KB dioxole opt and freq b3lyp - mde14 1
21:21, 15 December 2016 Mde14CYCLOHEXA OPTB3LYP.LOG (file) 177 KB cyclohexadiene opt b3lyp - mde14 1
21:02, 15 December 2016 Mde14THURSDAY IRC BUT+ETH PM6.LOG (file) 725 KB IRC of the reaction between ethene and butadiene - mde14 1
20:59, 15 December 2016 Mde14PRODUCT REOPTIMISE PM6 CYCLOHEXADIENE.LOG (file) 140 KB pm6 optimised exercise one product 1
20:57, 15 December 2016 Mde14TS BUT+ETHENE PM6 AFTERFREEZING - worked.LOG (file) 244 KB mde14 1
20:57, 15 December 2016 Mde14ETHENE INITOPT.LOG (file) 96 KB pm6 opt of ethene 1
20:21, 15 December 2016 Exercise 3 scheme actual.png (file) 54 KB ex 3 scheme real - mde14 1
20:19, 15 December 2016 Exercise 3 scheme.png (file) 55 KB ex 3 scheme 1
20:05, 15 December 2016 Xylyl altern rxn.png (file) 18 KB alternate rxn for xylylene - mde14 1
19:49, 15 December 2016 Reactiontwo.png (file) 41 KB endo exo rxm scheme - mde14 1
19:37, 15 December 2016 Reaction - eth but - hex.png (file) 16 KB rxn scheme 1 - mde14 1
19:28, 15 December 2016 Comparitive graph pes.png (file) 89 KB comparing endo exo chele irc- mde14 1
17:53, 15 December 2016 Chele irc graph.png (file) 494 KB chele irc graph - mde14 1
17:41, 15 December 2016 Exo irc graph.png (file) 490 KB exo irc - mde14 1
17:39, 15 December 2016 Endo irc graph.png (file) 649 KB endo irc graph - mde14 2
17:25, 15 December 2016 Irc endo gif.gif (file) 603 KB endo irc gif - mde14 1
17:23, 15 December 2016 Irc chele gif.gif (file) 1.5 MB chele irc mde14 1
17:21, 15 December 2016 Irc exo gif.gif (file) 695 KB irc of the exo diels alder interaction - mde14 1
15:54, 15 December 2016 Graph of exo irc.png (file) 542 KB exo energy irc - mde14 1
15:51, 15 December 2016 Graph of endo irc.png (file) 775 KB endo irc energy profile 1
14:39, 15 December 2016 TS LUMO + 2- oxole lumo and cyclo homo.jpg (file) 73 KB endo ts lumo + 1- mde14 1
14:38, 15 December 2016 TS LUMO - oxole homo and cyclo lumo.jpg (file) 78 KB endo ts lumo - mde14 1
14:37, 15 December 2016 TS HOMO - oxole homo and cyclo lumo.jpg (file) 78 KB ts endo homo - mde14 1
14:36, 15 December 2016 TS HOMO - 1 - oxole lumo and cyclo homo.jpg (file) 69 KB endo homo-1 ts - mde14 1
14:23, 15 December 2016 ENDO - TS LUMO+1 - oxole lumo and diene homo.jpg (file) 60 KB endo lumo + 1 ts - mde14 1
14:21, 15 December 2016 ENDO - TS LUMO - oxole homo and diene lumo.jpg (file) 61 KB exo lumo ts - mde14 1
14:20, 15 December 2016 ENDO - TS HOMO - oxole homo and diene lumo.jpg (file) 61 KB homo of exo ts - mde14 1
14:16, 15 December 2016 Mde14ENDO - TS HOMO-1 - oxole lumo and diene homo.jpg (file) 58 KB endo ts homo -1 - mde14 1
13:52, 15 December 2016 Gaussian ethene irc.gif (file) 179 KB irc ts to product - mde14 1
13:50, 15 December 2016 Mde14Gaussian vibration for ts.gif (file) 620 KB ts vibe - mde14 1
13:08, 15 December 2016 Mde14Graph of changing c-c.png (file) 85 KB graph of changing c-c lengths 1
15:21, 14 December 2016 Mde14TS LUMO+1 - buta homo + ethene lumo.jpg (file) 256 KB LUMO+1 of the TS - mde14 1
15:17, 14 December 2016 Mde14TS LUMO - buta lumo + ethene homo.jpg (file) 263 KB LUMO of TS - mde14 1
15:15, 14 December 2016 Mde14TS HOMO - buta lumo + ethene homo.jpg (file) 207 KB TS HOMO - mde14 1
First pagePrevious pageNext pageLast page