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Uploads by Shp13

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Date Name Thumbnail Size Description Versions
09:36, 22 October 2015 TS AM1 imaginaryfreq anim.gif (file) 595 KB   1
09:35, 22 October 2015 TS IR AM1.png (file) 11 KB   1
09:17, 22 October 2015 LUMO cisbutadiene reactant.png (file) 50 KB   1
09:17, 22 October 2015 HOMO cisbutadiene reactant.png (file) 27 KB   1
09:06, 22 October 2015 React cisbutadiene AMI.mol (file) 1,008 bytes   1
19:05, 21 October 2015 IRC results.png (file) 27 KB   1
18:25, 21 October 2015 TS QST2 imaginary freq.gif (file) 768 KB   1
18:21, 21 October 2015 Output qst2.mol (file) 2 KB   1
18:19, 21 October 2015 Input react &prod QST2.png (file) 56 KB   1
17:16, 21 October 2015 TS IR guess derivative.png (file) 9 KB   1
17:16, 21 October 2015 TS guess chair derivative imaginaryfreq anim.gif (file) 569 KB   1
16:34, 21 October 2015 TS guess chair imaginaryfreq anim.gif (file) 725 KB   2
16:21, 21 October 2015 IR spec chair guess TS.png (file) 12 KB   1
16:03, 21 October 2015 TS guess chair 321G sp.mol (file) 2 KB   1
10:28, 21 October 2015 TS allyl 321G SP.mol (file) 820 bytes   1
10:27, 21 October 2015 REACT ANTI1631G sp.mol (file) 2 KB   1
10:27, 21 October 2015 REACT ANTI1 sp.mol (file) 2 KB   1
10:27, 21 October 2015 REACT GAUCHE1 sp.mol (file) 2 KB   1
10:18, 21 October 2015 REACT ANTI sp.mol (file) 2 KB   2
18:44, 20 October 2015 Compariing conformers newman sp.png (file) 3 KB   1
18:12, 20 October 2015 IR spectrum 631G freq anti1.png (file) 16 KB   1
17:43, 20 October 2015 Labelled anti2.png (file) 52 KB   1
17:22, 20 October 2015 Actual lowest energy conformer sp.png (file) 993 bytes   1
17:00, 20 October 2015 Hypothesis lowest energy conformer sp.png (file) 999 bytes   1
16:45, 19 October 2015 Endo exo diels aldrer sp.png (file) 7 KB   1
15:56, 19 October 2015 Simple diels alder sp.png (file) 1 KB   1
15:48, 19 October 2015 Cope rearrangement sp.png (file) 1 KB   1
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