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Date
Name
Thumbnail
Size
Description
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10:54, 23 January 2016
HEXADIENE ANTI 2 MM.mol
(
file
)
2 KB
Hexadiene_Anti_2_MM
1
11:15, 23 January 2016
HEXADIENE GAUCHE 2 MM.mol
(
file
)
2 KB
1
11:19, 23 January 2016
Summary Gauche 2 Conformer HF3-21G MM.PNG
(
file
)
11 KB
2
11:41, 23 January 2016
Summary Anti Conformer HF3-21G MM.PNG
(
file
)
11 KB
1
11:44, 23 January 2016
HEXADIENE ANTI 3 MM.mol
(
file
)
2 KB
1
13:11, 23 January 2016
HEXADIENE GAUCHE MM.mol
(
file
)
2 KB
1
13:13, 23 January 2016
Summary Gaucher Conformer HF3-21G MM.PNG
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file
)
12 KB
1
13:38, 23 January 2016
MO Gauche3 Conformer MM.PNG
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file
)
128 KB
1
13:59, 23 January 2016
Hexadiene anti MM.mol
(
file
)
2 KB
1
14:02, 23 January 2016
Summary Anti Conformer HF3-21G MM 2.PNG
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file
)
11 KB
1
14:21, 23 January 2016
Summary Anti Conformer B3LYP MM.PNG
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file
)
12 KB
1
14:32, 23 January 2016
AtomLabellingAnti2Conformer MM.PNG
(
file
)
41 KB
1
14:55, 23 January 2016
NoNegativeFrequency Anti2 Conformer MM.PNG
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file
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12 KB
1
14:55, 23 January 2016
IR Spectrum Anti 2 Conformer MM.PNG
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file
)
14 KB
1
15:17, 23 January 2016
Summary Optimization Allyl Fragment MM.PNG
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file
)
11 KB
1
15:18, 23 January 2016
ALLYL OPTIMISATION HF321G.mol
(
file
)
820 bytes
1
15:28, 23 January 2016
Summary Optimization Chair TS Part b MM.PNG
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file
)
11 KB
1
15:30, 23 January 2016
CHAIR TS PART B.mol
(
file
)
2 KB
1
15:34, 23 January 2016
Vibrational Calculation Chair TS Part b.PNG
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file
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14 KB
1
15:57, 23 January 2016
CHAIR TS PART C MM.mol
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file
)
2 KB
1
16:55, 23 January 2016
CHAIR TS PART D MM.mol
(
file
)
2 KB
1
16:58, 23 January 2016
Chair ts guess MM.mol
(
file
)
2 KB
2
17:23, 23 January 2016
Summary Optimization Chair TS Part d MM.PNG
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file
)
12 KB
1
17:35, 23 January 2016
Vibrational Calculation Chair TS Part d.PNG
(
file
)
10 KB
1
18:12, 23 January 2016
Boat ts part e pt1.mol
(
file
)
2 KB
1
18:19, 23 January 2016
Boat ts part e pt2 MM.mol
(
file
)
2 KB
1
18:21, 23 January 2016
Summary Optimization Boat TS Part e 2 MM.PNG
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file
)
11 KB
1
18:30, 23 January 2016
Vibrational Calculation Boat TS Part e 2 MM.PNG
(
file
)
14 KB
1
09:50, 24 January 2016
TotalEnergyAlongIRC Chair TS Part f MM.PNG
(
file
)
14 KB
1
09:50, 24 January 2016
RMSGradientAlongIRC Chair TS Part f MM.PNG
(
file
)
16 KB
1
10:05, 24 January 2016
Summary Optimization Part f MM.PNG
(
file
)
11 KB
1
10:06, 24 January 2016
Chair ts part f opt1 MM.mol
(
file
)
2 KB
1
10:29, 24 January 2016
Summary Optimization Chair TS B3LYP Part g MM.PNG
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file
)
12 KB
1
10:31, 24 January 2016
Summary Optimization Boat TS B3LYP Part g MM.PNG
(
file
)
13 KB
1
10:32, 24 January 2016
BOAT TS PART G B3LYP MM.mol
(
file
)
2 KB
1
10:57, 24 January 2016
CHAIR TS PART G B3LYP MM.mol
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file
)
2 KB
2
14:21, 24 January 2016
Double Newman Projection of Boat Transition Structure.png
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file
)
18 KB
1
14:22, 24 January 2016
FlagpoleInteractions MM.png
(
file
)
15 KB
1
14:54, 24 January 2016
ReactionSchemeDielsAlderCycloaddition MM.png
(
file
)
4 KB
1
16:45, 24 January 2016
HOMOofEthene MM.PNG
(
file
)
51 KB
1
16:45, 24 January 2016
LUMOofEthene MM.PNG
(
file
)
54 KB
1
16:51, 24 January 2016
HOMOofButadiene MM.PNG
(
file
)
82 KB
1
16:51, 24 January 2016
LUMOofButadiene MM.PNG
(
file
)
83 KB
1
18:33, 24 January 2016
SummaryTSOptimizationEtheneButadiene MM.PNG
(
file
)
12 KB
1
18:34, 24 January 2016
GUESS TS CYCLOADDITION PROTOTYPE MM.mol
(
file
)
2 KB
1
18:38, 24 January 2016
VibrationalCalculationsTSOptimiztionEtheneButadiene MM.PNG
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file
)
12 KB
1
11:40, 25 January 2016
HOMOofEtheneButadieneTS MM.PNG
(
file
)
126 KB
1
11:41, 25 January 2016
LUMOofEtheneButadieneTS MM.PNG
(
file
)
128 KB
1
14:06, 25 January 2016
PlaneOfSymmetry MM.png
(
file
)
21 KB
3
15:22, 25 January 2016
GUESS ENDO TS FROM ENDO PRODUCT MM.mol
(
file
)
2 KB
1
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