ID | Bezeichnung | Substrat | Datum | Vermessen |
---|
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 | batches | | |
pagecalculation | page | rechnungen | | |
pagecell | page | kuevetten | | |
pagegeometry | page | geometrien | | |
pagemolecule | page | molekuele | | |
pagesample | page | samples | | |
pagesubstrate | page | substrate | | |
pagesuggestbatch | page | batches | | |
pagesynthesis_ | page | synthesen | | |
pagetube | page | 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 |