Tuna, D.; Lu, Y.; Koslowski, A.; Thiel, W. Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Benchmarks of Electronically Excited States. Journal of Chemical Theory and Computation 2016, 12, 4400–4422.

Cui, G.; Lu, Y.; Thiel, W. Electronic Excitation Energies, Three-State Intersections, and Photodissociation Mechanisms of Benzaldehyde and Acetophenone. Chemical Physics Letters 2012, 537, 21–26.

Lu, Y.; Lan, Z.; Thiel, W. Monomeric Adenine Decay Dynamics Influenced by the DNA Environment. Journal of Computational Chemistry 2012, 33, 1225–1235.

Lan, Z.; Lu, Y.; Weingart, O.; Thiel, W. Nonadiabatic Decay Dynamics of a Benzylidene Malononitrile. The Journal of Physical Chemistry A 2012, 116, 1510–1518.

Lan, Z. G.; Lu, Y.; Fabiano, E.; Thiel, W. QM/MM Nonadiabatic Decay Dynamics of 9H-Adenine in Aqueous Solution. ChemPhysChem 2011, 12, 1989–1998.

Lu, Y.; Lan, Z. G.; Thiel, W. Hydrogen Bonding Regulates the Monomeric Nonradiative Decay of Adenine in DNA Strands. Angewandte Chemie-International Edition 2011, 50, 6864–6867.

Lu, Y.; Lan, Z. G.; Thiel, W. Hydrogen Bonding Regulates the Monomeric Nonradiative Decay of Adenine in DNA Strands. Angewandte Chemie 2011, 123, 6996–6999.

Marawske, S.; Dörr, D.; Schmitz, D.; Koslowski, A.; Lu, Y.; Ritter, H.; Thiel, W.; Seidel, C. A. M.; Kühnemuth, R. Fluorophores as Optical Sensors for Local Forces. ChemPhysChem 2009, 10, 2041–2048.

Fabiano, E.; Lan, Z.; Lu, Y.; Thiel, W. Nonadiabatic Trajectory Calculations with Ab Initio and Semiempirical Methods; World Scientific Publishing: Singapore, 2011.

Lu, Y. Studying Excited States: From Small Molecules to Large Biological Systems. Doktorarbeit, Heinrich-Heine-Universität Düsseldorf, Düsseldorf, 2012.