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Uploads by Wcc14

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Date Name Thumbnail Size Description Versions
19:09, 13 February 2018 Reaction profile comparing external and internal butadiene fragment wcc14gee.png (file) 72 KB   2
18:58, 13 February 2018 Secondary orbital interaction wcc14gee.PNG (file) 217 KB   1
18:39, 13 February 2018 Steric clash wcc14gee.png (file) 181 KB   1
17:27, 13 February 2018 2-DA Reaction Energy Diagram wcc14gee.png (file) 37 KB   1
17:26, 13 February 2018 DA Reaction Energy Diagram wcc14gee.png (file) 21 KB   5
17:20, 13 February 2018 Side reaction 2 wcc14gee.PNG (file) 5 KB   1
17:17, 13 February 2018 Side reaction.PNG (file) 5 KB   2
23:32, 12 February 2018 OS reaction scheme wcc14gee.PNG (file) 17 KB ex3 1
22:49, 12 February 2018 OS exo IRC energy path wcc14gee.PNG (file) 13 KB ex3 1
22:49, 12 February 2018 OS exo IRC movie wcc14gee.gif (file) 627 KB ex3 1
22:49, 12 February 2018 OS endo IRC energy path wcc14gee.PNG (file) 13 KB ex3 1
22:49, 12 February 2018 OS endo IRC movie wcc14gee.gif (file) 592 KB ex3 1
22:49, 12 February 2018 Cheletropic IRC movie wcc14gee.gif (file) 931 KB ex3 1
22:49, 12 February 2018 Cheletropic IRC energy path wcc14gee.PNG (file) 11 KB ex3 1
22:48, 12 February 2018 Exo IRC energy path wcc14gee.PNG (file) 12 KB ex3 1
22:48, 12 February 2018 Endo IRC energy path wcc14gee.PNG (file) 13 KB ex3 1
22:48, 12 February 2018 DA exo IRC move wcc14gee.gif (file) 713 KB ex3 1
22:48, 12 February 2018 DA endo IRC move wcc14gee.gif (file) 628 KB ex3 1
22:46, 12 February 2018 Exo IRC movie wcc14gee.gif (file) 172 KB   1
22:46, 12 February 2018 Endo IRC movie wcc14gee.gif (file) 511 KB   1
22:46, 12 February 2018 EXO TS B3LYP wcc14gee.LOG (file) 3.58 MB   1
22:46, 12 February 2018 ENDO TS B3LYP wcc14gee.LOG (file) 3.65 MB   1
22:46, 12 February 2018 Dioxole break sym(B3LYP opt to min) wcc14gee.LOG (file) 159 KB   1
22:45, 12 February 2018 CYCLOHEXADIENE (B3LYP OPT TO MIN) wcc14gee.LOG (file) 1.24 MB   1
21:20, 12 February 2018 ETHENE (OPTIMISE TO MINIMUM) wcc14gee.LOG (file) 99 KB   2
21:12, 12 February 2018 Exercise 1 TS negative frequency.gif (file) 611 KB ex1 ts negative frequency 1
21:12, 12 February 2018 Exercise 1 IRC wcc14gee.gif (file) 319 KB EX1 IRC 1
21:10, 12 February 2018 BUTADIENE WITH ETHYLENETS PM6 wcc14gee.LOG (file) 531 KB ex1 ts 1
21:09, 12 February 2018 BUTADIENE (OPTIMISE TO MINIMUM) WCC14GEE.LOG (file) 151 KB ex1 butadiene 1
17:51, 12 February 2018 Xylylene and SO2 reaction scheme wcc14gee.png (file) 125 KB   1
17:51, 12 February 2018 DA and cheletropic energy diagram wcc14gee.png (file) 58 KB   1
17:50, 12 February 2018 Cyclohexadiene and dioxole reaction scheme wcc14gee.PNG (file) 18 KB   1
17:50, 12 February 2018 Cyclohexadiene and dixole MO wcc14gee.png (file) 230 KB   1
16:37, 9 February 2018 Reaction scheme wcc14gee.png (file) 5 KB   2
16:00, 9 February 2018 Butadiene with ethylene labelling carbon wcc14gee.PNG (file) 5 KB   1
16:00, 9 February 2018 Butadiene with ethylene MO wcc14gee.PNG (file) 75 KB   1
17:10, 11 May 2017 Triatomic system reaction wcc14gee.png (file) 33 KB   1
14:16, 11 May 2017 HF low vibrational mode wcc14gee.PNG (file) 98 KB   1
14:16, 11 May 2017 Decreasing incoming H momentum wcc14gee.PNG (file) 96 KB   1
20:39, 10 May 2017 F + H2 1and-0.8 momenta surface plot wcc14gee.PNG (file) 99 KB   1
20:39, 10 May 2017 F + H2 1and-0.8 momenta momentum vs time wcc14gee.PNG (file) 103 KB   1
19:57, 10 May 2017 F + H2 3 momenta wcc14gee.PNG (file) 96 KB   1
19:57, 10 May 2017 F + H2 2.5 momenta wcc14gee.PNG (file) 94 KB   1
19:57, 10 May 2017 F + H2 2 momenta wcc14gee.PNG (file) 93 KB   1
19:57, 10 May 2017 F + H2 1.5 momenta wcc14gee.PNG (file) 90 KB   1
19:57, 10 May 2017 F + H2 1 momenta wcc14gee.PNG (file) 90 KB   1
19:57, 10 May 2017 F + H2 0.5 momenta wcc14gee.PNG (file) 90 KB   1
19:57, 10 May 2017 F + H2 0 momenta wcc14gee.PNG (file) 89 KB   1
19:57, 10 May 2017 F + H2 -1 momenta wcc14gee.PNG (file) 89 KB   1
19:57, 10 May 2017 F + H2 -1.5 momenta wcc14gee.PNG (file) 90 KB   1
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