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Name
Thumbnail
Size
Description
Versions
16:47, 25 March 2011
Tec108 anti2 vibration CH bend 940 point 0.gif
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file
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198 KB
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16:46, 25 March 2011
Tec108 anti2 vibration C=C stretch 1724 point 3.gif
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file
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198 KB
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16:45, 25 March 2011
Tec108 anti2 vibration CH stretch 3136 point 7.gif
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file
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197 KB
1
13:49, 25 March 2011
Tec108 maleic anhydride product exo molecule.jpg
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file
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68 KB
1
13:46, 25 March 2011
Tec108 maleic anhydride product endo molecule.jpg
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file
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64 KB
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13:46, 25 March 2011
Tec108 exo maleic anhydride PRODUCT.mol
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file
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2 KB
1
13:45, 25 March 2011
Tec108 ENDO maleic anhydride PRODUCT.mol
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file
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2 KB
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13:34, 25 March 2011
Tec108 maleic anhydride endo TS vibration.gif
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file
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161 KB
1
13:33, 25 March 2011
Tec108 maleic anhydride exo TS vibration.gif
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file
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151 KB
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13:16, 25 March 2011
Tec108 maleic anhydride TS endo molecule.jpg
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file
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108 KB
2
13:11, 25 March 2011
ENDO TS SECOND OPTIMISATION higher level.mol
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file
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2 KB
2
13:08, 25 March 2011
Tec108 maleic anhydride endo LUMO.jpg
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file
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106 KB
1
13:07, 25 March 2011
Tec108 maleic anhydride endo HOMO.jpg
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file
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113 KB
1
15:06, 24 March 2011
EXO TS SECOND OPTIMISATION higher level.mol
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file
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2 KB
1
15:02, 24 March 2011
Tec108 maleic anhydride TS exo molecule.jpg
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file
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98 KB
1
15:00, 24 March 2011
Tec108 maleic anhydride TS exo LUMO.jpg
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136 KB
1
14:59, 24 March 2011
Tec108 maleic anhydride TS exo HOMO.jpg
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file
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149 KB
1
11:49, 24 March 2011
Tec108 cis butadiene structure.jpg
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85 KB
1
11:49, 24 March 2011
Tec108 optimised structure of cis butadiene.mol
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1,007 bytes
1
11:45, 24 March 2011
Tec108 ethylene structure image.jpg
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84 KB
1
11:43, 24 March 2011
Tec108 ethylene structure.mol
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631 bytes
1
00:11, 24 March 2011
Tec108 diels alder chemdraw reaction scheme.jpg
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12 KB
1
11:56, 23 March 2011
Tec108 cycloaddition transition state LUMO.jpg
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222 KB
2
11:55, 23 March 2011
Tec108 cycloaddition transition state HOMO.jpg
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207 KB
1
19:23, 22 March 2011
Tec108 cis butadiene LUMO.jpg
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file
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66 KB
1
19:22, 22 March 2011
Tec108 cis butadiene HOMO.jpg
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69 KB
1
19:20, 22 March 2011
Tec108 ethylene HOMO.jpg
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63 KB
1
19:15, 22 March 2011
Tec108 ethylene LUMO.jpg
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54 KB
1
12:09, 22 March 2011
Tec108 optimising to boat transition state.jpg
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100 KB
3
12:08, 22 March 2011
Tec108 optimising to boat transition state.mol
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2 KB
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11:09, 22 March 2011
Tec108 IRC successful graphs.jpg
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75 KB
1
10:52, 22 March 2011
Tec108 IRC first unsuccessfull molecule.mol
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file
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2 KB
1
10:40, 22 March 2011
Tec108 IRC successfull molecule.mol
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2 KB
1
10:37, 22 March 2011
Tec108 IRC successfull molecule.jpg
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75 KB
1
10:09, 22 March 2011
Tec108 IRC first unsuccessfull molecule.jpg
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83 KB
1
09:32, 22 March 2011
Tec108 IRC first unsuccessfull.jpg
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53 KB
1
15:49, 21 March 2011
Tec108 FIRST BERNY TRANSITION STATE OPTIMISATION.jpg
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100 KB
1
15:45, 21 March 2011
Tec108 TRANSITION STATE FROZEN COORDINATE METHOD OF OPTIMISATION SECOND OPT.jpg
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70 KB
1
15:42, 21 March 2011
Tec108 TRANSITION STATE FROZEN COORDINATE METHOD OF OPTIMISATION SECOND OPT.mol
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2 KB
1
15:35, 21 March 2011
Tec108 imaginary vibration fixed coordinate geometry chair transition state.gif
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180 KB
1
14:56, 21 March 2011
Tec108 FIRST BERNY TRANSITION STATE OPTIMISATION.mol
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2 KB
1
14:54, 21 March 2011
Tec108 imaginary vibration first Berny chair transition state.gif
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204 KB
1
14:40, 21 March 2011
Tec108 QST calculations input structure2.jpg
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71 KB
1
14:39, 21 March 2011
Tec108 QST calculations input structure.jpg
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67 KB
1
14:21, 21 March 2011
Tec108 imaginary vibration QST2 boat transition state.gif
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234 KB
1
00:24, 19 March 2011
Tec108 Transition state structure before optimisation.jpg
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file
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68 KB
1
23:26, 18 March 2011
Tec108 react anti 2 IR spectrum.jpg
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file
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72 KB
1
22:06, 18 March 2011
Tec108 Carbon Numbered anti 2.jpg
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file
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66 KB
3
19:29, 18 March 2011
Tec108 react gauche 3.mol
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file
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2 KB
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18:08, 18 March 2011
Tec108 react anti 2.mol
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2 KB
1
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