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Uploads by Jg2011

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Date Name Thumbnail Size Description Versions
17:20, 10 March 2014 Cyclopentadiene endo 4 jmol.mol2 (file) 3 KB   1
17:16, 10 March 2014 Cyclopentadiene endo 4 jmol.mol (file) 2 KB   1
22:30, 13 February 2014 JG Butadiene IRC RMS.png (file) 40 KB   1
22:30, 13 February 2014 JG Butadiene IRC Energy.png (file) 39 KB   1
22:00, 13 February 2014 JG solvent table.png (file) 12 KB   1
21:50, 13 February 2014 JG Solvent dielectrScale.png (file) 42 KB   1
21:50, 13 February 2014 JG Solvent arbitScale.png (file) 49 KB   1
21:48, 13 February 2014 JG ETHENE DFT 631GD OPT.LOG (file) 91 KB   1
21:48, 13 February 2014 JG BUTADIENE OPT DFT631G(D) KEYWORDS.LOG (file) 255 KB   1
21:48, 13 February 2014 JG ETHENE DFT 6311GD OPT 0K.LOG (file) 90 KB   1
21:48, 13 February 2014 JG BUTADIENE OPT DFT6311G(D) KEYWORDS 0K.LOG (file) 254 KB   1
21:28, 13 February 2014 JG DielsAlder first DFT TS 0k.log (file) 198 KB   1
21:28, 13 February 2014 JG DielsAlder TS DFT.log (file) 896 KB   2
21:15, 13 February 2014 JG dielsAlder further opt.png (file) 13 KB   1
21:14, 13 February 2014 JG BUTADIENE IRC FURTHEROPT.LOG (file) 245 KB   1
20:47, 13 February 2014 JG Butadiene IRC Both.gif (file) 410 KB   1
14:20, 13 February 2014 TS WORKS DFT 631GD GIAO.LOG (file) 38 KB   1
14:13, 13 February 2014 JG endoTS NICS.PNG (file) 15 KB   1
14:13, 13 February 2014 JG ExoTS NICS.PNG (file) 16 KB   1
14:09, 13 February 2014 TS OTHERONE DFT 631GD GIAO1.LOG (file) 38 KB   1
23:39, 12 February 2014 JG CHAIRTS 321G NOBERNY REDUNDANT DERIVATIVE OPTFREQ2 IRC T1 150STEPS KEYWORDS.LOG (file) 464 KB   1
23:22, 12 February 2014 JG Hessian vib movie.gif (file) 732 KB   1
22:42, 12 February 2014 JG CHAIRTS 321G IRC T1 150STEPS ADDITIONALOPTATHF321G WED.LOG (file) 103 KB   1
22:42, 12 February 2014 JG CHAIRTS 321g IRC T1 150steps additionalOPTatHF321G WED.gjf (file) 1 KB   1
14:57, 12 February 2014 JG QST3 TRIAL.LOG (file) 423 KB   1
14:49, 12 February 2014 JG QST3 Images.PNG (file) 101 KB   1
13:15, 12 February 2014 JG NICS Butadienecentre.PNG (file) 25 KB   1
13:07, 12 February 2014 JG DFT 631GD TRANSITIONSTATE GIAO BETWEEN DIENE.LOG (file) 27 KB   1
12:36, 12 February 2014 BUTADIENE OPT 6311GD KEYWORDS GIAO MORE.LOG (file) 23 KB   1
10:26, 12 February 2014 JG EndoTS DFT IRC.log (file) 864 KB   1
10:26, 12 February 2014 JG ExoTS DFT IRC.log (file) 1.16 MB   1
23:31, 11 February 2014 JG Conformations henry.jpg (file) 23 KB   1
23:17, 11 February 2014 JG LCAO Homo0.png (file) 22 KB   2
23:16, 11 February 2014 JG LCAO Homo1.png (file) 23 KB   2
23:16, 11 February 2014 JG MaleicCyclo endo Homo0.PNG (file) 77 KB   2
23:16, 11 February 2014 JG MaleicCyclo Homo1.PNG (file) 123 KB   2
22:58, 11 February 2014 JG ExoEndo Hydrogens.png (file) 72 KB   1
21:35, 11 February 2014 JG Butadiene Opt SemiEmpiAM1 keywords Jmol.mol2 (file) 653 bytes   1
21:32, 11 February 2014 Butadiene OPT 6311Gd keywords Jmol.mol2 (file) 653 bytes   1
17:12, 11 February 2014 JG HF 631Gd Transitionstate.log (file) 919 KB   2
17:12, 11 February 2014 JG TS DIELSALDER.LOG (file) 936 KB   2
16:31, 11 February 2014 JG Extremecase Nosub.png (file) 12 KB   1
15:39, 11 February 2014 JG HF firstrealVib.gif (file) 698 KB   1
15:08, 11 February 2014 JG Secondary overlap.PNG (file) 64 KB   1
13:58, 11 February 2014 JG TS SEMI EMPI pic.PNG (file) 20 KB   1
13:42, 11 February 2014 JG IRC GRAPH Endo RMS.PNG (file) 18 KB   1
13:42, 11 February 2014 JG IRC GRAPH Endo Energy.PNG (file) 17 KB   1
13:42, 11 February 2014 JG IRC GRAPH EXO RMS.PNG (file) 19 KB   1
13:42, 11 February 2014 JG IRC GRAPH EXO Energy.PNG (file) 16 KB   1
13:21, 11 February 2014 JG ExoTS DFT pic.PNG (file) 38 KB   1
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