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Uploads by Fv611

This special page shows all uploaded files.

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Date Name Thumbnail Size Description Versions
19:11, 18 March 2014 BoatTS failed checkpointstructure.PNG (file) 52 KB   1
16:14, 18 March 2014 FV boat numbering.png (file) 6 KB   1
11:27, 18 March 2014 ChairTS frozencoordinates step43 opt.PNG (file) 41 KB   1
10:16, 18 March 2014 CHAIRTS FROZENCOORDINATES IRC STEP43 OPTIMISATION.mol (file) 2 KB   1
10:11, 18 March 2014 CHAIRTS FROZENCOORDINATES IRC STEP43 OPTIMISATION.LOG (file) 120 KB   1
20:04, 17 March 2014 ChairTS frozencoordinates paths.PNG (file) 42 KB   1
19:48, 17 March 2014 ChairTS frozencoordinates IRC.gif (file) 405 KB   2
16:37, 17 March 2014 CHAIRTS HESSIAN IRC STEP44 OPTIMISATION.LOG (file) 135 KB   1
16:35, 17 March 2014 CHAIRTS HESSIAN IRC STEP44 OPTIMISATION.mol (file) 2 KB   1
16:34, 17 March 2014 ChairTS step44 optimisedstructure.PNG (file) 41 KB   1
16:25, 17 March 2014 ChairTS IRC path.PNG (file) 37 KB   1
15:36, 17 March 2014 ChairTS hessian IRC.gif (file) 110 KB   1
14:33, 17 March 2014 Frozencoordinates beforeandafteroptimisation.PNG (file) 55 KB   1
13:59, 17 March 2014 CHAIRTS FROZENCOORDINATES SECONDOPTIMISATION.LOG (file) 167 KB   1
13:39, 17 March 2014 CHAIRTS FROZENCOORDINATES.LOG (file) 381 KB   1
13:38, 17 March 2014 ChairTS frozencoordinates.chk (file) 1.3 MB   1
12:28, 17 March 2014 ChairTS hessian negvibration.gif (file) 344 KB   2
11:51, 17 March 2014 CHAIRTS HESSIAN.LOG (file) 761 KB   1
11:48, 17 March 2014 CHAIRTS HESSIAN.mol (file) 2 KB   1
11:47, 17 March 2014 ChairTS hessian optimisedstructure.PNG (file) 32 KB   1
11:00, 17 March 2014 ChairTS guessstructure highlighted.PNG (file) 49 KB   1
10:56, 17 March 2014 Allylfragment optimisedstructure.PNG (file) 16 KB   1
18:17, 16 March 2014 ANTI2 FREQUENCY.LOG (file) 86 KB   1
18:17, 16 March 2014 ANTI2 631GD FREQUENCY 0.LOG (file) 79 KB   1
18:17, 16 March 2014 ANTI2 631GD FREQUENCY.LOG (file) 80 KB   1
18:17, 16 March 2014 ANIT2 HF 0K.LOG (file) 135 KB   1
16:32, 16 March 2014 Anti2 HF irspectrum.PNG (file) 10 KB   2
16:32, 16 March 2014 Anti2 HF 0K irspectrum.PNG (file) 10 KB   2
16:32, 16 March 2014 Anti2 DFT irspectrum.PNG (file) 15 KB   2
16:32, 16 March 2014 Anti2 DFT 0K irspectrum.PNG (file) 14 KB   2
16:11, 16 March 2014 ANTI2 631GD OPTIMISATION.mol (file) 2 KB   1
16:09, 16 March 2014 Anti2 631Gd optimisedstructure.PNG (file) 24 KB   1
16:00, 16 March 2014 Anti2 optimisedstructure.PNG (file) 27 KB   1
15:59, 16 March 2014 FV ANTI2.mol (file) 2 KB   1
15:57, 16 March 2014 ANTI2 631GD OPTIMISATION.LOG (file) 137 KB   1
15:57, 16 March 2014 FV ANTI2.LOG (file) 151 KB   1
15:48, 16 March 2014 Gauche3 geffect.PNG (file) 10 KB   1
14:16, 15 March 2014 FV GAUCHE3.LOG (file) 167 KB   1
14:16, 15 March 2014 Gauche3 optimisedstructure.PNG (file) 28 KB   1
13:35, 15 March 2014 Hexadiene gauche4 optimisedstructure.PNG (file) 23 KB   1
13:29, 15 March 2014 Hexadiene gauche2 optimised structure.PNG (file) 35 KB   1
13:25, 15 March 2014 Hexadiene anti1 optimisedstructure.PNG (file) 22 KB   1
13:12, 15 March 2014 HEXADIENE ECLIPSED OPTIMISATION.mol (file) 2 KB   1
13:12, 15 March 2014 HEXADIENE ECLIPSED OPTIMISATION.LOG (file) 266 KB   1
11:55, 15 March 2014 HEXADIENE GAUCHE OPTIMISATION.mol (file) 2 KB   1
11:44, 15 March 2014 HEXADIENE GAUCHE OPTIMISATION.LOG (file) 291 KB   1
15:19, 14 March 2014 Hexadiene anti optimisation.mol (file) 2 KB   1
15:14, 14 March 2014 HEXADIENE ANTI OPTIMISATION.LOG (file) 511 KB   1
14:42, 14 March 2014 Hexadiene anti wrong.PNG (file) 124 KB   1
12:38, 14 March 2014 DATS hessian mo23.cub.jvxl (file) 15 KB   1
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