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Name
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15:34, 5 February 2016
MALEIC ANHYDRIDE AM1(OPT).mol
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file
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944 bytes
1
15:02, 5 February 2016
Endo exo am5713.png
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file
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78 KB
1
14:55, 5 February 2016
Diels alder butadiene am5713.png
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file
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30 KB
1
14:35, 5 February 2016
OPTFREQ FINAL STRUCTURE AM1 QST2 CYCLOHEXENE FORCECONSTANTONCE.LOG
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file
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354 KB
1
14:33, 5 February 2016
OPTFREQ FINAL STRUCTURE AM1 QST2 CYCLOHEXENE.LOG
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file
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197 KB
1
14:32, 5 February 2016
CYCLOHEXENE QST2 TS AM1 IRC.LOG
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file
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877 KB
1
14:31, 5 February 2016
CYCLOHEXENE QST2 TS AM1.LOG
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file
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1.36 MB
1
14:30, 5 February 2016
CYCLOHEXANE OPT AM1 FROM SCRATCH.LOG
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file
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282 KB
1
14:15, 5 February 2016
Cyclohexene qts2 set up.PNG
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file
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364 KB
1
13:59, 5 February 2016
Cyclohexene energy from scratch.png
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file
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55 KB
1
13:53, 5 February 2016
Cyclohexane Opt AM1 from scratch.mol
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file
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2 KB
1
13:37, 5 February 2016
A solution to the problem energy.png
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file
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66 KB
1
13:35, 5 February 2016
OPTFREQ FINAL STRUCTURE AM1 QST2 CYCLOHEXENE FORCECONSTANTONCE.mol
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file
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2 KB
1
13:22, 5 February 2016
IRC product optimised energy imaginary freq animation.gif
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file
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1.8 MB
1
13:19, 5 February 2016
IRC product optimised energy imaginary freq.png
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file
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59 KB
1
13:12, 5 February 2016
CYCLOHEXENE IRC PRODUCT AM1 OPT TO MINIMUM.mol
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file
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2 KB
1
13:00, 5 February 2016
Ethene butadiene IRC both directions.gif
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file
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1.34 MB
1
12:59, 5 February 2016
Ethene butadiene irc curves.PNG
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file
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39 KB
1
12:35, 5 February 2016
Ethene butadiene ts LUMO am5713.PNG
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file
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213 KB
1
12:33, 5 February 2016
Ethene butadiene ts HOMO AM5713.PNG
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file
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215 KB
1
12:25, 5 February 2016
Ethene butadiene ts lowest real vibation.gif
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file
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1.58 MB
1
12:24, 5 February 2016
Ethene butadiene ts imaginary vibation.gif
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file
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3.87 MB
1
12:21, 5 February 2016
Ethene butadiene ts vib list.PNG
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file
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22 KB
1
11:33, 5 February 2016
Ethene butadiene ts energy am5713.PNG
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file
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49 KB
1
11:22, 5 February 2016
ETHENE BUTADIENE TS GUESS 2 BERNY am5713.mol
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file
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2 KB
1
11:20, 5 February 2016
Ethene input structure for ts calculation am5713.mol
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file
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2 KB
1
11:02, 5 February 2016
BUTADIENE AM1 am5713a.mol
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file
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1,006 bytes
1
11:01, 5 February 2016
Butadiene energy am5713.PNG
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file
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42 KB
1
11:00, 5 February 2016
Butadiene LUMO am5713.PNG
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file
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225 KB
1
10:59, 5 February 2016
Butadiene HOMO am5713.PNG
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file
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223 KB
1
10:53, 5 February 2016
Ethene LUMO am5713.PNG
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file
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165 KB
1
10:51, 5 February 2016
Ethene energy am5713.PNG
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file
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40 KB
2
10:46, 5 February 2016
Ethene HOMO am5713.PNG
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file
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161 KB
1
10:45, 5 February 2016
ETHENE AM1 am5713.mol
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file
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623 bytes
1
16:26, 4 February 2016
CYCLOHEXENE IRC PRODUCT AM1 OPT TO MINIMUM.LOG
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file
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197 KB
1
16:22, 4 February 2016
ETHENE BUTADIENE TS IRC BOTH100.LOG
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file
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877 KB
1
16:16, 4 February 2016
ETHENE BUTADIENE TS GUESS 2 BERNY(AM1).LOG
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file
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564 KB
1
16:13, 4 February 2016
ETHENE BUTADIENE TS GUESS 1 BERNY(AM1).LOG
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file
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2.02 MB
1
16:12, 4 February 2016
BUTADIENE AM1 am5713.LOG
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file
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129 KB
1
16:11, 4 February 2016
ETHENE AM1 am5713.LOG
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file
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84 KB
1
16:04, 4 February 2016
BOAT IRC STRUCTURE HF OPTIMISATION TO MIN.LOG
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file
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120 KB
1
16:01, 4 February 2016
OPT TO MIN OF FINAL IRC STRUCTURE HF.LOG
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file
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140 KB
1
15:55, 4 February 2016
Boat irc optimised structure energy.PNG
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file
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48 KB
1
15:51, 4 February 2016
Boat irc final structure energy.png
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file
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50 KB
1
15:42, 4 February 2016
Chair irc energy of optimised structure.png
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file
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46 KB
1
15:40, 4 February 2016
Chair irc energy of final structure.png
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file
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49 KB
1
17:38, 1 February 2016
Boat ts irc 100 curves.PNG
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file
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39 KB
1
17:36, 1 February 2016
BOAT TS QST2 IRC 100 am5713.mol
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file
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2 KB
1
17:35, 1 February 2016
Boat ts irc 100 am5713.gif
(
file
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1.63 MB
1
17:31, 1 February 2016
BOAT TS QST2 ALTERED GEOMETRY IRC 100 AM5713.LOG
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file
)
764 KB
1
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