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16:02, 14 March 2018
BT1215 Diels-Alder Curly Arrows.jpg
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file
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10 KB
1
16:01, 14 March 2018
BT1215 Cyclodioxone Reaction Scheme.jpg
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file
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26 KB
1
15:59, 14 March 2018
BT1215 Chele vs Diels Alder React Scheme.jpg
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file
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87 KB
1
00:22, 7 March 2018
BT1215 Exercise 1 C-C Bond Length Change IRC.jpg
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file
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83 KB
1
19:29, 6 March 2018
BT1215 Diels-Alder RS Butadiene Ethylene.jpg
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file
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11 KB
1
19:06, 6 March 2018
BT1215 Diels-Alder TS Butadiene Ethylene Y3TS.jpg
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file
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64 KB
1
19:05, 6 March 2018
BT1215 Diels-Alder TS Butadiene Ethylene Y3TS.svg
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file
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106 KB
1
17:00, 6 March 2018
BT1215 BEDIELSALDER ORB COMB REACT TS PM6.LOG
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file
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377 KB
1
01:18, 21 May 2017
Test 4 Polanyi BT01048050.JPG
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file
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324 KB
1
01:16, 21 May 2017
Test 3 Polanyi BT01048050.JPG
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266 KB
1
01:03, 21 May 2017
Test 2 Polanyi BT01048050.JPG
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file
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263 KB
1
01:02, 21 May 2017
Test 1 Polanyi BT01048050.JPG
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291 KB
1
23:25, 20 May 2017
Reactive Trajectory Internuclei F + H2 BT01048050.JPG
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239 KB
1
23:07, 20 May 2017
Reactive Trajectory F + H2 BT01048050.JPG
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285 KB
1
16:57, 20 May 2017
F + H2 Calc Kinetic Energy Transition State BT01048050.JPG
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246 KB
1
16:56, 20 May 2017
F + H2 Calc Transition State BT01048050.JPG
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209 KB
1
15:08, 20 May 2017
Endothermic HF + H BT01048050.JPG
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270 KB
1
15:08, 20 May 2017
Exothermic F + H2 BT01048050.JPG
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231 KB
1
15:01, 18 May 2017
5th Momentum Calc H + H2 BT01048050.JPG
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294 KB
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15:01, 18 May 2017
4th Momentum Calc H + H2 BT01048050.JPG
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301 KB
1
15:00, 18 May 2017
3rd Momentum Calc H + H2 BT01048050.JPG
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290 KB
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15:00, 18 May 2017
2nd Momentum Calc H + H2 BT01048050.JPG
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281 KB
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14:59, 18 May 2017
1st Momentum Calc H + H2 BT01048050.JPG
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281 KB
1
23:26, 17 May 2017
Reverse dynamics calculation to TS H2 + H.JPG
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269 KB
1
23:06, 17 May 2017
Internuclear Momentum Calc H + H2 BT01048050.JPG
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256 KB
1
23:05, 17 May 2017
Kinetic energy dynamics calc H + H2 BT01048050.JPG
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189 KB
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22:22, 17 May 2017
Kinetic energy dynamics H + H2 BT01048050.JPG
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81 KB
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22:09, 17 May 2017
Dynamics calculation to TS H2 + H BT01048050.JPG
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291 KB
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20:23, 16 May 2017
Kinetic Energy mep H + H2 BT01048050.JPG
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61 KB
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20:14, 16 May 2017
Mep calculation H2 + H BT01048050.JPG
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277 KB
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15:20, 16 May 2017
Transition State Kinetic Energy Plot H2 + H BT01048050.JPG
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122 KB
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14:35, 16 May 2017
Transition State Location H2 + H BT01048050.JPG
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208 KB
1
16:55, 19 February 2016
Final Final NH3 Symmetry BT1234.gif
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190 KB
1
16:51, 19 February 2016
Final NH3 Symmetry BT1234.gif
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544 KB
Cropped version of other symmetric gif
1
16:41, 19 February 2016
NH3 Symmetric Gif BT1234.gif
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544 KB
1
14:33, 19 February 2016
Charge Analysis NH3 BT1234.png
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25 KB
1
14:18, 19 February 2016
Display Vibrations H2 BT1234.png
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15 KB
1
23:24, 18 February 2016
MO Diagram CH4 BT1234.gif
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3 KB
1
20:56, 18 February 2016
MO5 CH4 (3rd Lowest Energy) BT1234.png
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744 KB
1
20:56, 18 February 2016
MO4 CH4 (3rd Lowest Energy) BT1234.png
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774 KB
1
20:55, 18 February 2016
MO3 CH4 (3rd Lowest Energy) BT1234.png
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722 KB
1
20:55, 18 February 2016
MO2 CH4 (2nd Lowest Energy) BT1234.png
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file
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966 KB
1
20:54, 18 February 2016
MO1 CH4 (Lowest Energy) BT1234.png
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file
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140 KB
1
20:33, 18 February 2016
BT1234 CH4.LOG
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file
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242 KB
.LOG output for CH4 molecule
1
20:08, 18 February 2016
Charge Analysis CH4 BT1234.png
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file
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27 KB
Image of CH4 Charge Analysis
1
18:39, 18 February 2016
Display Vibrations CH4 BT1234.png
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file
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17 KB
Screenshot showing the display vibrations of CH4
1
15:24, 17 February 2016
BT1234 H2.LOG
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file
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95 KB
H2 Optimisation
1
15:19, 16 February 2016
Display Vibrations N2 BT1234.png
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file
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16 KB
png file of N2 vibrations
1
14:59, 16 February 2016
BT1234 N2.LOG
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file
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196 KB
.log file of Optimised N2
1
15:49, 15 February 2016
BT1234 NH3.LOG
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file
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228 KB
NH3 JMol plot
1
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