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Uploads by Ap6715

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Date Name Thumbnail Size Description Versions
16:17, 27 January 2018 AP6715Inverse and Normal electron demand.png (file) 16 KB   1
15:39, 27 January 2018 AP6715Example of PES.png (file) 42 KB   1
15:39, 27 January 2018 AP6715Hamiltonian DFT.png (file) 4 KB   1
15:06, 27 January 2018 Ap6715aaaATTEMPT 6 UNFROZEN TRANSITION STATE OPTIMISATION.LOG (file) 1.21 MB   1
15:05, 27 January 2018 AP6715extATTEMPT 6 UNFROZEN TRANSITION STATE OPTIMISATION.LOG (file) 1.21 MB   3
15:00, 27 January 2018 AP6715extPM6 OPTIMISATION OF RING OPENING PRODUCT.LOG (file) 1.26 MB   1
14:56, 27 January 2018 Ap6715ExtPRODUCT AFTER IRC.LOG (file) 911 KB   1
14:55, 27 January 2018 AP6715extIRC OF ATTEMPT 6.LOG (file) 2.67 MB   1
14:53, 27 January 2018 AP67152STAGE 3 UNFROZEN PM6 OPTIMISATION OF OTHER ENDO TS.LOG (file) 565 KB   1
14:52, 27 January 2018 AP67152OTHER ENDO PRODUCT PM6 OPTIMISATION.LOG (file) 859 KB   1
14:51, 27 January 2018 Ap67152OTHER EXO PM6 TRANSITION STATE OPT NON FROZEN.LOG (file) 677 KB   1
14:50, 27 January 2018 Ap67152OTHER EXO PM6 OPTIMISATION.LOG (file) 878 KB   1
14:49, 27 January 2018 AP6715NEW CHEL PRODUCT PM6 UNFROZEN TS OPT.LOG (file) 944 KB   1
14:48, 27 January 2018 Ap6715FINAL CHEL PRODUCT PM6 OPT.LOG (file) 675 KB   1
14:46, 27 January 2018 Ap67151ENDO UNFROZEN TS PM6 MINIMISATIONS STAGE 3 METHOD 3.LOG (file) 620 KB   1
14:46, 27 January 2018 Ap67151ENDO PRODUCT PM6 MINIMISATIONS STAGE 1 METHOD 3.LOG (file) 1.05 MB   1
14:45, 27 January 2018 AP6715exo1STAGE 1 PM6 METHOD 3 DIELS ALDER PRODUCT.LOG (file) 763 KB   1
14:44, 27 January 2018 Ap6715exoSTAGE 3 PM6 METHOD 3 DIELS ALDER TS UNFROZEN.LOG (file) 251 KB   1
14:42, 27 January 2018 AP6715SO2 REACTANT EXERCISE 3.LOG (file) 78 KB   1
14:41, 27 January 2018 AP6715XYLXYENE REACTANT EXERCISE 3.LOG (file) 218 KB   1
14:24, 27 January 2018 Ap6715FINAL EXO PRODUCT B3LYP OPTIMISATION.LOG (file) 3.46 MB   1
14:24, 27 January 2018 Ap6715FINAL ENDO PRODUCT B3LYP OPTIMISATION.LOG (file) 3.53 MB   1
14:23, 27 January 2018 AP6715B3LYP OPTIMISATION OF EXO PRODUCT TRANSITION STATE.LOG (file) 3.58 MB   2
14:22, 27 January 2018 AAP6715B3LYP OPTIMISATION OF ENDO PRODUCT TRANSITION STATE.LOG (file) 3.69 MB   1
14:21, 27 January 2018 AP671513 DIOXOLE REACTANT OPT.LOG (file) 167 KB   1
14:20, 27 January 2018 AP6715B3LYP OPTIMISATION OF CYCLOHEXADIENE REACTANT.LOG (file) 423 KB   1
12:52, 27 January 2018 AAP6715Transition state HOMO.png (file) 19 KB   1
12:45, 27 January 2018 AP6715Reaction scheme extension.png (file) 8 KB   1
12:45, 27 January 2018 Ap6715Conrotatory vs disrotatory diagram.png (file) 47 KB   1
12:44, 27 January 2018 AP6715Product MO that I think results from the overlap.png (file) 22 KB   1
12:44, 27 January 2018 Transition state HOMO.png (file) 19 KB   1
12:43, 27 January 2018 AP6715Open ring reactant HOMO.png (file) 15 KB   2
18:16, 26 January 2018 MINIMISATION PM6 EXERCISE 1 PRODUCT OPTIMISATION.LOG (file) 197 KB   1
18:15, 26 January 2018 Ap6715PRODUCT OF EXERCISE 1 ENERGY CALC.txt (file) 65 KB   1
18:11, 26 January 2018 AaAP6715butadiene MINIMUM PM6.LOG (file) 96 KB   1
18:10, 26 January 2018 AAAp6715butadiene MINIMUM PM6 ENERGY CALC.LOG (file) 37 KB   1
18:09, 26 January 2018 AaAp6715Ethylene MINIMUM PM6.LOG (file) 132 KB   1
18:05, 26 January 2018 AP6715aaEthylene MINIMUM PM6 ENERGY CALC.LOG (file) 21 KB   1
17:42, 25 January 2018 Ap6715Endo transition MO diagram corrected.png (file) 88 KB   1
17:36, 25 January 2018 AP6715Endo transition MO diagram corrected.png (file) 88 KB   1
16:12, 25 January 2018 AP6715TRANSITION STATE METHOD 2 UNFROZEN PM6.LOG (file) 226 KB   1
15:57, 25 January 2018 AP6715Reaction energy profile exercise 3.png (file) 68 KB   1
15:16, 25 January 2018 AP6715IRC of ring closing movie file.gif (file) 1.12 MB   1
15:04, 25 January 2018 AP6715OTher endo IRC Movie file.gif (file) 530 KB   1
14:57, 25 January 2018 AP6715OTher exo IRC Movie file.gif (file) 556 KB   1
12:09, 25 January 2018 AP6715Chel TS Movie file.gif (file) 912 KB   1
12:08, 25 January 2018 Ap6715ENDO TS Movie file.gif (file) 602 KB   1
12:07, 25 January 2018 AP6715EXO TS Movie file.gif (file) 666 KB   1
11:34, 25 January 2018 AP6715Reaction scheme for exercise 3.png (file) 21 KB   1
11:31, 25 January 2018 AP6715aReaction scheme for exercise 2.png (file) 25 KB   1
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