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Uploads by Fv611

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Date Name Thumbnail Size Description Versions
21:15, 20 March 2014 SDATS EXO HESSIAN4.LOG (file) 1.78 MB   1
21:15, 20 March 2014 SDATS EXO HESSIAN DFT.mol (file) 2 KB   1
21:15, 20 March 2014 SDATS EXO HESSIAN4.mol (file) 2 KB   1
21:15, 20 March 2014 Exo DFT optstructure.PNG (file) 62 KB   1
21:15, 20 March 2014 Exo HF optstructure.PNG (file) 83 KB   1
21:05, 20 March 2014 SDATS exo DFT vibration.gif (file) 375 KB   2
21:01, 20 March 2014 SDATS exo HF vibration.gif (file) 348 KB   2
20:47, 20 March 2014 SDATS exo guess.PNG (file) 61 KB   1
20:19, 20 March 2014 Maleicanhydride DFT LUMO.cub.jvxl (file) 17 KB   1
20:19, 20 March 2014 FV Maleicanhydride DFT LUMO.cub.xyz (file) 327 bytes   1
20:17, 20 March 2014 Maleicanhydride HF LUMO.cub.jvxl (file) 17 KB   1
20:16, 20 March 2014 FV Maleicanhydride HF LUMO.cub.xyz (file) 327 bytes   1
20:14, 20 March 2014 Maleicanhydride DFT HOMO.cub.jvxl (file) 9 KB   1
20:12, 20 March 2014 Maleicanhydride DFT HOMO.cub.xyz (file) 327 bytes   1
19:59, 20 March 2014 Maleicanhydride HF HOMO.cub.jvxl (file) 16 KB   1
19:58, 20 March 2014 Maleicanhydride HF HOMO.cub.xyz (file) 327 bytes   1
19:50, 20 March 2014 MALEICANHYDRIDE DFT OPTFREQ.mol (file) 976 bytes   1
19:50, 20 March 2014 MALEICANHYDRIDE DFT OPTFREQ.LOG (file) 152 KB   1
19:50, 20 March 2014 MALEICANHYDRIDE HF OPTFREQ.mol (file) 970 bytes   1
19:50, 20 March 2014 MALEICANHYDRIDE HF OPTFREQ.LOG (file) 153 KB   1
19:50, 20 March 2014 Maleicanhydride HF optstructure.PNG (file) 39 KB   1
19:50, 20 March 2014 Maleicanhydride DFT optstructure.PNG (file) 39 KB   1
19:42, 20 March 2014 Cyclohexadiene DFT LUMO.cub.jvxl (file) 20 KB   1
19:41, 20 March 2014 FV Cyclohexadiene DFT LUMO.cub.xyz (file) 508 bytes   1
19:40, 20 March 2014 Cyclohexadiene HF LUMO.cub.jvxl (file) 20 KB   1
19:39, 20 March 2014 FV Cyclohexadiene HF LUMO.cub.xyz (file) 508 bytes   1
19:27, 20 March 2014 Cyclohexadiene HF HOMO.cub.jvxl (file) 18 KB   1
19:27, 20 March 2014 Cyclohexadiene HF HOMO.cub.xyz (file) 508 bytes   1
19:25, 20 March 2014 Cyclohexadiene DFT HOMO.cub.jvxl (file) 18 KB   1
19:24, 20 March 2014 Cyclohexadiene DFT HOMO.cub.xyz (file) 508 bytes   1
19:15, 20 March 2014 CYCLOHEXADIENE HF OPTFREQ.LOG (file) 212 KB   1
19:15, 20 March 2014 CYCLOHEXADIENE HF OPTFREQ.mol (file) 1 KB   1
19:15, 20 March 2014 CYCLOHEXADIENE DFT OPTFREQ.LOG (file) 208 KB   1
19:13, 20 March 2014 CYCLOHEXADIENE DFT OPTFREQ.mol (file) 1 KB   1
19:13, 20 March 2014 CISBUTADIENE HF OPTFREQ.mol (file) 1,022 bytes   2
19:13, 20 March 2014 Cyclohexadiene HF optstructure.PNG (file) 36 KB   1
19:13, 20 March 2014 Cyclohexadiene DFT optstructure.PNG (file) 35 KB   1
17:21, 20 March 2014 DATS QST2 input.PNG (file) 135 KB   1
16:41, 20 March 2014 DATS HESSIAN HF vibration.gif (file) 205 KB   1
16:32, 20 March 2014 Cyclohexene HF LUMO.cub.jvxl (file) 17 KB   1
16:32, 20 March 2014 Cyclohexene HF LUMO.cub.xyz (file) 580 bytes   1
16:07, 20 March 2014 Cyclohexene HF hessian optstructure.PNG (file) 29 KB   1
15:34, 20 March 2014 DATS HESSIAN HF.mol (file) 2 KB   1
15:27, 20 March 2014 Cyclohexene guess.PNG (file) 35 KB   1
13:02, 20 March 2014 Ethylene DFT LUMO.cub.jvxl (file) 12 KB   1
13:01, 20 March 2014 FV Ethylene DFT LUMO.cub.xyz (file) 219 bytes   1
12:56, 20 March 2014 Ethylene HF LUMO.cub.jvxl (file) 13 KB   1
12:55, 20 March 2014 FV Ethylene HF LUMO.cub.xyz (file) 219 bytes   1
12:53, 20 March 2014 Ethylene am1 LUMO.cub.jvxl (file) 10 KB   1
12:53, 20 March 2014 FV Ethylene am1 LUMO.cub.xyz (file) 219 bytes   1
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