Substrate, auf die die Proben (optional) aufgebracht werden.
| ID | ↑ Details | Art | Bezeichnung | Bezugsquelle |
|---|---|---|---|---|
| baort | -70°C, -20°C, +6°C, RT, Glovebox | |||
| bastat | da, leer, weg | |||
| bool | true, false | |||
| boolde | ja, nein | |||
| calctype | D tensor, geometry optimisation, geometry scan, g tensor, hyperfine couplings, spin density, TD-DFT, transition dipole moment, vibrational analysis | |||
| cellmaterial | OG, BF, OS, UV, QS, QX | |||
| celltype | Absorption, Fluoreszenz | |||
| dftbasisset | Def2-SVP, Def2-TZVP, Def2-QZVP, EPR-II, EPR-III, 6-31G** | |||
| dftconverged | unknown, true, false | |||
| dftenvironment | vacuum, COSMO | |||
| dftfunctional | BP86, B3LYP, BLYP, PBE0, B3P86, B1LYP, HF, VWN5 | |||
| experiment | TREPR, cwEPR, UVvis | |||
| multiplicity | unbestimmt, Singulett, Dublett, Triplett | |||
| os_ | Linux, Windows, macOS | |||
| pagebatch | page | :proben:batches: | ||
| pagecalculation | page | :rechnungen:rechnungen: | ||
| pagecell | page | :proben:kuevetten: | ||
| pagegeometry | page | :rechnungen:geometrien: | ||
| pagemolecule | page | :rechnungen:molekuele: | ||
| pagesample | page | :proben:samples: | ||
| pagesubstrate | page | :proben:substrate: | ||
| pagesuggestbatch | page | :proben:batches: | ||
| pagesynthesis_ | page | :proben:synthesen: | ||
| pagetube | page | :proben:roehrchen: | ||
| probehead | Bruker 4103TM, Bruker 4119HS-W1, Bruker EN 5107D2, Bruker EN 680-1021 H, Bruker EN4118X-MD4, Bruker ER 5106QT-W1, Bruker ER4118X-MD5, Bruker ER4118X-MS3, Bruker ER4118X-MS5 | |||
| projstat | BSc, aktiv, geplant, inaktiv, beendet | |||
| propstat | Skizze, Entwurf, Begutachtung, aktiv, abgeschlossen, abgelehnt | |||
| pubstat | Vorbereitung, Planung, eingereicht, erschienen | |||
| sa | wiki | [[sa> | ]] | |
| saort | LN2, -70°C, -20°C, RT, Glovebox | |||
| sastat | da, weg, leer |