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- 1Adiabatic Excitation Energies
- 1Aminoalkyl Carbenes
- 1Atoms in Molecules
- 1BODIPY
- 1Benchmark Study
- 1Bond Dissociation Energies
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Computational Investigations on Excited State Properties of Cyanine Dyes and Carbene-bound Main Group Elements
DownloadFall 2015
The first section of this thesis is concerned with the computational study of excited state properties of boron-dipyrromethene (BODIPY) organic dyes using ab initio and time-dependent density functional theory (TD-DFT) methods. Through a comprehensive benchmark of TD-DFT methods against...
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