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ddc:540
2
quantum mechanics
2
Cytochrome P450
1
Geometrieoptimierung
1
Ionic-Crystal-QM/MM
1
Matematisk analys
1
Mathematical Analysis
1
NO Reduktase
1
QM/MM
1
Spectral theory
1
Theoretische EPR-Spektroskopie
1
X-Ray emission spectroscopy
1
band gaps
1
detonation
1
diffusion
1
electrostatic embedding schemes
1
energetic material
1
molecular dynamics
1
semiclassical asymptotics
1
shape optimization
1
solid-state NMR
1
solid-state spectroscopy
1
spectral inequalities
1
theoretical spectroscopy
1
thermal stability
1
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