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UserWiki:Meisam: Difference between revisions
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>Meisam →My works: move to table |
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* Comparison of SCC-DFTB and NDDO-Based Semiempirical Molecular Orbital Methods for Organic Molecules, J. Phys. Chem. A, 2006, 110 (50), pp 13551–13559 {{doi|10.1021/jp064544k}} | * Comparison of SCC-DFTB and NDDO-Based Semiempirical Molecular Orbital Methods for Organic Molecules, J. Phys. Chem. A, 2006, 110 (50), pp 13551–13559 {{doi|10.1021/jp064544k}} | ||
== | == Calculation Queue == | ||
{| class="wikitable" | |||
|+Guide | |||
File:4AcoMET-UB3LYP.png|[[ | | style="background: pink;"| Planned || style="background: yellow;"| In Progress|| style="background: green;"| Completed | ||
File:5-MeO-MiPT UAM1.png|[[5-MeO-MiPT]]- | |} | ||
File: | {| class="wikitable sortable" | ||
|+List | |||
|Molecule|| colspan="2" style="text-align: center;" |Method | |||
|- | |||
| [[4-AcO-MET]] || style="background: green;" | [[:File:4AcoMET-UAM1.png|AM1]] || style="background: green;"| [[:File:4AcoMET-UB3LYP.png|B3LYP]] | |||
|- | |||
| [[5-MeO-MiPT]] || style="background: green;" | [[:File:5-MeO-MiPT UAM1.png|AM1]] || style="background: green;"| [[:File:5-MeO-MiPT UB3LYP.png|B3LYP]] | |||
|- | |||
| [[2-FMA]] || style="background: green;" | [[:File:2-FMA-UAM1.png|AM1]] || style="background: green;"| [[:File:2-FMA-UB3LYP.png|B3LYP]] | |||
|- | |||
| [[AMT]] || style="background: yellow;" | AM1 || style="background: yellow;"| B3LYP | |||
|- | |||
| [[U-47700]] || style="background: yellow;" | AM1 || style="background: yellow;"| B3LYP | |||
|- | |||
| [[DOC]] || style="background: yellow;" | AM1 || style="background: yellow;"| B3LYP | |||
|- | |||
| [[1P-LSD]] || style="background: yellow;" | AM1 || style="background: yellow;"| B3LYP | |||
|- | |||
| [[5-MeO-DMT]] || style="background: yellow;" | AM1 || style="background: yellow;"| B3LYP | |||
|- | |||
| [[JWH-018]] || style="background: yellow;" | AM1 || style="background: yellow;"| B3LYP | |||
|- | |||
| [[5-HO-DMT]] || style="background: yellow;" | AM1 || style="background: yellow;"| B3LYP | |||
|- | |||
| [[2C-T-7]] || style="background: yellow;" | AM1 || style="background: yellow;"| B3LYP | |||
|- | |||
| [[Psilocin]] ||style="background: pink;"| AM1 ||style="background: pink;"| B3LYP | |||
|- | |||
| [[Psilocybin]] || style="background: pink;"|AM1 || style="background: pink;"|B3LYP | |||
|} | |||
==ToDo, Bugs, Junk-yard== | ==ToDo, Bugs, Junk-yard== | ||
*Missing MediaWiki tags in templates imported from Wikimedia projects. e.g. <wm-license-self-one-license>, <wm-license-information-description>, etc. | *Missing MediaWiki tags in templates imported from Wikimedia projects. e.g. <wm-license-self-one-license>, <wm-license-information-description>, etc. | ||