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Date
Name
Thumbnail
Size
Description
Versions
17:23, 26 January 2016
IRCEtheneButadiene MM.gif
(
file
)
2.65 MB
1
15:20, 26 January 2016
IRCAnimation CopeRearrangement MM.gif
(
file
)
1.61 MB
2
15:07, 26 January 2016
BoatTSImaginaryFrequency MM.gif
(
file
)
3.33 MB
1
15:00, 26 January 2016
AtomLabellingBoatTransitionStructureAfterCorrection MM.PNG
(
file
)
89 KB
1
14:55, 26 January 2016
AtomLabellingBoatTransitionStructureWrong MM.PNG
(
file
)
67 KB
1
14:51, 26 January 2016
AtomLabellingBoatTransitionStructureCorrect MM.PNG
(
file
)
68 KB
1
14:13, 26 January 2016
ChairTSPartDImaginaryFrequenct MM.gif
(
file
)
1.53 MB
1
12:58, 26 January 2016
ChairTSImaginaryFrequency MM.gif
(
file
)
1.52 MB
1
12:39, 26 January 2016
Hexadiene anti B3LYP 6-31G(d) MM.mol
(
file
)
2 KB
4
11:27, 26 January 2016
HEXADIENE GAUCHE MOS.LOG
(
file
)
227 KB
1
18:04, 25 January 2016
GUESS EXO TS FROM EXO PRODUCT MOS.LOG
(
file
)
898 KB
1
17:44, 25 January 2016
GUESS ENDO TS FROM ENDO PRODUCT MOS.LOG
(
file
)
1.06 MB
1
15:49, 25 January 2016
ExoTSAtomicLabelling MM.PNG
(
file
)
57 KB
1
15:49, 25 January 2016
EndoTSAtomicLabelling MM.PNG
(
file
)
61 KB
1
15:29, 25 January 2016
VibrationalCalculcationsExoTS MM.PNG
(
file
)
10 KB
1
15:28, 25 January 2016
VibrationalCalculcationsEndoTS MM.PNG
(
file
)
9 KB
1
15:28, 25 January 2016
SummaryExoTSOptimization MM.PNG
(
file
)
11 KB
1
15:28, 25 January 2016
SummaryEndoTSOptimization MM.PNG
(
file
)
12 KB
1
15:24, 25 January 2016
GUESS EXO TS FROM EXO PRODUCT MM.mol
(
file
)
2 KB
1
15:22, 25 January 2016
GUESS ENDO TS FROM ENDO PRODUCT MM.mol
(
file
)
2 KB
1
14:06, 25 January 2016
PlaneOfSymmetry MM.png
(
file
)
21 KB
3
11:41, 25 January 2016
LUMOofEtheneButadieneTS MM.PNG
(
file
)
128 KB
1
11:40, 25 January 2016
HOMOofEtheneButadieneTS MM.PNG
(
file
)
126 KB
1
18:38, 24 January 2016
VibrationalCalculationsTSOptimiztionEtheneButadiene MM.PNG
(
file
)
12 KB
1
18:34, 24 January 2016
GUESS TS CYCLOADDITION PROTOTYPE MM.mol
(
file
)
2 KB
1
18:33, 24 January 2016
SummaryTSOptimizationEtheneButadiene MM.PNG
(
file
)
12 KB
1
16:51, 24 January 2016
LUMOofButadiene MM.PNG
(
file
)
83 KB
1
16:51, 24 January 2016
HOMOofButadiene MM.PNG
(
file
)
82 KB
1
16:45, 24 January 2016
LUMOofEthene MM.PNG
(
file
)
54 KB
1
16:45, 24 January 2016
HOMOofEthene MM.PNG
(
file
)
51 KB
1
14:54, 24 January 2016
ReactionSchemeDielsAlderCycloaddition MM.png
(
file
)
4 KB
1
14:22, 24 January 2016
FlagpoleInteractions MM.png
(
file
)
15 KB
1
14:21, 24 January 2016
Double Newman Projection of Boat Transition Structure.png
(
file
)
18 KB
1
10:57, 24 January 2016
CHAIR TS PART G B3LYP MM.mol
(
file
)
2 KB
2
10:32, 24 January 2016
BOAT TS PART G B3LYP MM.mol
(
file
)
2 KB
1
10:31, 24 January 2016
Summary Optimization Boat TS B3LYP Part g MM.PNG
(
file
)
13 KB
1
10:29, 24 January 2016
Summary Optimization Chair TS B3LYP Part g MM.PNG
(
file
)
12 KB
1
10:06, 24 January 2016
Chair ts part f opt1 MM.mol
(
file
)
2 KB
1
10:05, 24 January 2016
Summary Optimization Part f MM.PNG
(
file
)
11 KB
1
09:50, 24 January 2016
RMSGradientAlongIRC Chair TS Part f MM.PNG
(
file
)
16 KB
1
09:50, 24 January 2016
TotalEnergyAlongIRC Chair TS Part f MM.PNG
(
file
)
14 KB
1
18:30, 23 January 2016
Vibrational Calculation Boat TS Part e 2 MM.PNG
(
file
)
14 KB
1
18:21, 23 January 2016
Summary Optimization Boat TS Part e 2 MM.PNG
(
file
)
11 KB
1
18:19, 23 January 2016
Boat ts part e pt2 MM.mol
(
file
)
2 KB
1
18:12, 23 January 2016
Boat ts part e pt1.mol
(
file
)
2 KB
1
17:35, 23 January 2016
Vibrational Calculation Chair TS Part d.PNG
(
file
)
10 KB
1
17:23, 23 January 2016
Summary Optimization Chair TS Part d MM.PNG
(
file
)
12 KB
1
16:58, 23 January 2016
Chair ts guess MM.mol
(
file
)
2 KB
2
16:55, 23 January 2016
CHAIR TS PART D MM.mol
(
file
)
2 KB
1
15:57, 23 January 2016
CHAIR TS PART C MM.mol
(
file
)
2 KB
1
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