Uploads by Mm5713
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Date | Name | Thumbnail | Size | Description | Versions |
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12:48, 27 January 2016 | OPTIMIZATION MALEIC ANHYDRIDE OPTFREQ.LOG (file) | ![]() |
74 KB | 1 | |
12:47, 27 January 2016 | OPTIMIZATION CYCLOHEXADIENE OPTFREQ.LOG (file) | ![]() |
118 KB | 1 | |
12:36, 27 January 2016 | GUESS EXO TS FROM EXO PRODUCT.LOG (file) | ![]() |
510 KB | 1 | |
12:35, 27 January 2016 | OPTIMIZATION EXO PRODUCT.LOG (file) | ![]() |
347 KB | 1 | |
12:34, 27 January 2016 | GUESS ENDO TS FROM ENDO PRODUCT.LOG (file) | ![]() |
692 KB | 1 | |
12:33, 27 January 2016 | OPTIMIZATION ENDO PRODUCT.LOG (file) | ![]() |
424 KB | 1 | |
12:31, 27 January 2016 | LowestFrequencyButadiene2 MM.gif (file) | ![]() |
1.11 MB | 1 | |
12:31, 27 January 2016 | LowestFrequencyButadiene MM.gif (file) | ![]() |
1.11 MB | 1 | |
12:28, 27 January 2016 | IRCEtheneAndButadiene MM.gif (file) | ![]() |
966 KB | 1 | |
11:43, 27 January 2016 | IRCPathButadieneEthene MM.PNG (file) | 11 KB | 1 | ||
11:40, 27 January 2016 | IRC CYCLOADDITION BUTADIENE ETHENE.LOG (file) | ![]() |
731 KB | 1 | |
11:38, 27 January 2016 | GUESS TS CYCLOADDITION PROTOTYPE.LOG (file) | ![]() |
771 KB | 1 | |
11:37, 27 January 2016 | ETHENE OPTIMIZATION.LOG (file) | ![]() |
52 KB | 1 | |
11:32, 27 January 2016 | IRCCopeRearrangement MM.gif (file) | ![]() |
599 KB | 1 | |
09:47, 27 January 2016 | BOAT TS PART G B3LYP.LOG (file) | ![]() |
211 KB | 1 | |
09:47, 27 January 2016 | CHAIR TS PART G B3LYP.LOG (file) | ![]() |
211 KB | 1 | |
09:45, 27 January 2016 | CHAIR TS PART F OPT1.LOG (file) | ![]() |
236 KB | 1 | |
09:44, 27 January 2016 | CHAIR TS PART F.LOG (file) | ![]() |
468 KB | 1 | |
09:42, 27 January 2016 | BOAT TS PART E PT2.LOG (file) | ![]() |
627 KB | 1 | |
09:41, 27 January 2016 | BOAT TS PART E PT1.LOG (file) | ![]() |
817 KB | 1 | |
09:38, 27 January 2016 | CHAIR TS PART D.LOG (file) | ![]() |
251 KB | 1 | |
09:37, 27 January 2016 | CHAIR TS PART C.LOG (file) | ![]() |
234 KB | 1 | |
09:35, 27 January 2016 | CHAIR TS PART B.LOG (file) | ![]() |
384 KB | 1 | |
09:34, 27 January 2016 | ALLYL OPTIMISATION 3-21G.LOG (file) | ![]() |
78 KB | 1 | |
09:31, 27 January 2016 | HEXADIENE ANTI B3LYP 6-31G(D) FREQUENCY.LOG (file) | ![]() |
79 KB | 1 | |
09:28, 27 January 2016 | HEXADIENE ANTI B3LYP 6-31G(D).LOG (file) | ![]() |
138 KB | 1 | |
09:27, 27 January 2016 | HEXADIENE ANTI.LOG (file) | ![]() |
201 KB | 1 | |
09:25, 27 January 2016 | HEXADIENE GAUCHE.LOG (file) | ![]() |
300 KB | 1 | |
09:23, 27 January 2016 | HEXADIENE GAUCHE 2.LOG (file) | ![]() |
283 KB | 1 | |
09:19, 27 January 2016 | HEXADIENE ANTI 2 MM.LOG (file) | ![]() |
153 KB | 1 | |
09:14, 27 January 2016 | TestBoatImaginaryFrequency MM.gif (file) | ![]() |
1.08 MB | 1 | |
09:03, 27 January 2016 | LUMO PLUS 2 EXO MM.PNG (file) | 144 KB | 1 | ||
09:03, 27 January 2016 | LUMO PLUS 1 EXO MM.PNG (file) | 136 KB | 1 | ||
09:03, 27 January 2016 | LUMO EXO MM.PNG (file) | 134 KB | 1 | ||
09:03, 27 January 2016 | HOMO EXO MM.PNG (file) | 137 KB | 1 | ||
09:02, 27 January 2016 | HOMO 1 EXO MM.PNG (file) | 126 KB | 1 | ||
09:02, 27 January 2016 | LUMO PLUS 2 ENDO MM.PNG (file) | 135 KB | 1 | ||
09:01, 27 January 2016 | LUMO PLUS 1 ENDO MM.PNG (file) | 124 KB | 1 | ||
09:01, 27 January 2016 | LUMO ENDO MM.PNG (file) | 129 KB | 1 | ||
09:00, 27 January 2016 | HOMO ENDO MM.PNG (file) | 126 KB | 1 | ||
08:58, 27 January 2016 | HOMO 1 ENDO MM.PNG (file) | 119 KB | 1 | ||
18:41, 26 January 2016 | MM ReactionSchemeCope MM.PNG (file) | 2 KB | 1 | ||
18:27, 26 January 2016 | MM BoatTSImaginaryFrequency MM.gif (file) | ![]() |
3.22 MB | 1 | |
18:24, 26 January 2016 | MM AtomLabellingBoatTransitionStructureAfterCorrection MM.PNG (file) | 93 KB | 1 | ||
18:21, 26 January 2016 | MM AtomLabellingBoatTransitionStructureWrong MM.PNG (file) | 63 KB | 1 | ||
18:17, 26 January 2016 | MM AtomLabellingBoatTransitionStructureCorrect MM.PNG (file) | 64 KB | 1 | ||
17:51, 26 January 2016 | VibrationalCalculationsB3LYPBoat MM.PNG (file) | 10 KB | 1 | ||
17:50, 26 January 2016 | VibrationalCalculationsB3LYPChair MM.PNG (file) | 10 KB | 1 | ||
17:32, 26 January 2016 | LowestEnergyRealFrequencyButadieneEthene MM.gif (file) | ![]() |
3.41 MB | 2 | |
17:30, 26 January 2016 | ImaginaryFrequencyButadieneEthene MM.gif (file) | ![]() |
3.42 MB | 2 |