Jump to content

Uploads by Shl108

This special page shows all uploaded files.

File list
First pagePrevious pageNext pageLast page
Date Name Thumbnail Size Description Versions
16:09, 12 November 2010 Exoproduct.gjf (file) 3 KB   1
15:57, 12 November 2010 Secondary.jpg (file) 34 KB   1
15:41, 12 November 2010 Exoproduct.mol2 (file) 1 KB   1
15:40, 12 November 2010 Endoproduct.mol2 (file) 1 KB   1
14:56, 12 November 2010 Vibrationpositive.png (file) 33 KB   1
12:42, 12 November 2010 CoordinateDerivative.gif (file) 383 KB   2
12:27, 12 November 2010 Coperearr.png (file) 10 KB   1
12:26, 12 November 2010 Coperea.jpg (file) 12 KB   1
11:47, 12 November 2010 GAUCHE3.mol2 (file) 982 bytes   1
20:34, 11 November 2010 ExoLUMO1.png (file) 49 KB   1
20:33, 11 November 2010 ExoLUMO.png (file) 49 KB   3
20:20, 11 November 2010 ENDOLUMO.png (file) 53 KB   1
19:59, 11 November 2010 DielsAlderVibration.png (file) 70 KB   2
18:22, 11 November 2010 DielAlderHOMO.png (file) 38 KB   2
14:49, 9 November 2010 DielsAlderQST2.png (file) 42 KB   1
13:43, 9 November 2010 ButadieneLUMO.png (file) 42 KB   1
18:25, 8 November 2010 Anti2HFopt0K.out (file) 146 KB   1
18:25, 8 November 2010 Anti2HFopt.out (file) 146 KB   1
18:24, 8 November 2010 Anti2HFopt.gjf (file) 1 KB   1
18:22, 8 November 2010 BoatoptDFT0K.out (file) 212 KB   1
18:22, 8 November 2010 BoatoptDFT.out (file) 212 KB   1
18:22, 8 November 2010 Boatopt0K.out (file) 616 KB   1
18:21, 8 November 2010 DFTChair0K.out (file) 228 KB   1
18:20, 8 November 2010 DFTChair.out (file) 228 KB   1
18:20, 8 November 2010 BerryTSchair0K.out (file) 657 KB   1
18:19, 8 November 2010 BerryTSChair.out (file) 657 KB   1
16:48, 8 November 2010 RMS Gradient Norm along IRC2.png (file) 69 KB   1
16:46, 8 November 2010 Total Energy along IRC2.png (file) 75 KB   1
16:44, 8 November 2010 Calculating force Always.png (file) 30 KB   1
16:15, 8 November 2010 BerryTSChairIRC1.png (file) 38 KB   1
16:15, 8 November 2010 BerryTSChairIRC.png (file) 38 KB   5
16:09, 8 November 2010 Total Energy along IRC.png (file) 56 KB   1
15:36, 8 November 2010 DerivativeCoordinate.fchk (file) 184 KB   1
15:17, 8 November 2010 BOATOPTQST2.LOG (file) 695 KB   1
15:09, 8 November 2010 FreezeChairCoordinate.fchk (file) 175 KB   1
15:02, 8 November 2010 BerryTSChair.fchk (file) 184 KB   1
15:01, 8 November 2010 BerryTSChair-818.gif (file) 445 KB   1
14:56, 8 November 2010 CB1.png (file) 13 KB   1
14:54, 8 November 2010 CB1.LOG (file) 21 KB   1
13:08, 7 November 2010 BoatoptQST2.gif (file) 437 KB   1
19:26, 4 November 2010 FREQUENCY2.LOG (file) 79 KB   1
19:21, 4 November 2010 IR spectrum2.jpg (file) 103 KB   1
18:45, 4 November 2010 DFToptFREQUENCY.LOG (file) 80 KB   1
18:11, 4 November 2010 DEToptIR spectrum.jpg (file) 106 KB   1
17:29, 4 November 2010 Anticonformer2DFT.LOG (file) 139 KB   1
17:17, 4 November 2010 Antib.mol2 (file) 982 bytes   1
17:16, 4 November 2010 Anticonformer2.LOG (file) 165 KB   1
16:16, 4 November 2010 Gauchea.mol2 (file) 982 bytes   1
16:12, 4 November 2010 GaucheConformerA.LOG (file) 182 KB   1
15:58, 4 November 2010 Anticonformer1.LOG (file) 166 KB   1
First pagePrevious pageNext pageLast page