E-Dissertationen: Suche
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Dypas2: Ein Computerprogramm zur Simulation dynamischer PHIP-NMR-Spektroskopie auf Basis des Superoperatorformalismus
(2003)
For in situ studies of reaction mechanisms using parahydrogen it is desirable to compare experimentally recorded NMR spectra with those theoretically expected. Likewise it is advantageous to know, how the individual ...
Computation of Electronic Excitation Spectra of Large Biomolecular Systems
(2020-11-30)
This thesis presents the theoretical investigation of electronic excitation spectra and nonlinear responses of large biomolecular systems (e.g., proteins or deoxyribonucleic acid fragments), with a particular focus on the ...