Cui, G.; Thiel, W. Generalized trajectory surface-hopping method for internal conversion and intersystem crossing. The Journal of Chemical Physics 2014, 141, 124101/1–124101/13.

Zhang, Q.; Chen, X.; Cui, G.; Fang, W.-H.; Thiel, W. Concerted Asynchronous Hula-Twist Photoisomerization in the S65T/H148D Mutant of Green Fluorescent Protein. Angewandte Chemie International Edition 2014, 53, 8649–8653.

Cui, G.; Thiel, W. Intersystem Crossing Enables 4-Thiothymidine to Act as a Photosensitizer in Photodynamic Therapy: An Ab Initio QM/MM Study. The Journal of Physical Chemistry Letters 2014, 5, 2682–2687.

Spörkel, L.; Cui, G.; Koslowski, A.; Thiel, W. Nonequilibrium H/D Isotope Effects from Trajectory-Based Nonadiabatic Dynamics. The Journal of Physical Chemistry A 2014, 118, 152–157.

Cui, G.; Cao, X.-Y.; Fang, W.-H.; Dolg, M.; Thiel, W. Photoinduced Gold(I)–Gold(I) Chemical Bonding in Dicyanoaurate Oligomers. Angewandte Chemie 2013, 125, 10471–10475.

Cui, G.; Cao, X.-Y.; Fang, W.-H.; Dolg, M.; Thiel, W. Photoinduced Gold(I)–Gold(I) Chemical Bonding in Dicyanoaurate Oligomers. Angewandte Chemie International Edition 2013, 52, 10281–10285.

Spörkel, L.; Cui, G.; Thiel, W. Photodynamics of Schiff Base Salicylideneaniline: Trajectory Surface-Hopping Simulations. The Journal of Physical Chemistry A 2013, 117, 4574–4583.

Cui, G.; Fang, W. State-specific heavy-atom effect on intersystem crossing processes in 2-thiothymine: A potential photodynamic therapy photosensitizer. The Journal of Chemical Physics 2013, 138, 044315 (1)-044315 (9).

Cui, G.; Thiel, W. Photoinduced Ultrafast Wolff Rearrangement: A Non-Adiabatic Dynamics Perspective. Angewandte Chemie: eine Zeitschrift der Gesellschaft Deutscher Chemiker 2013, 125, 451–454.

Cui, G.; Thiel, W. Photoinduced Ultrafast Wolff Rearrangement: A Non-Adiabatic Dynamics Perspective. Angewandte Chemie International Edition: a journal of the Gesellschaft Deutscher Chemiker 2013, 52, 433–436.

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.

Cui, G.; Lan, Z.; Thiel, W. Intramolecular Hydrogen Bonding Plays a Crucial Role in the Photophysics and Photochemistry of the GFP Chromophore. Journal of the American Chemical Society 2012, 134, 1662–1672.

Cui, G.; Thiel, W. Nonadiabatic Dynamics of a Truncated Indigo Model. Physical Chemistry Chemical Physics 2012, 14, 12378–12384.

Cui, G.; Fang, W. Ab Initio Trajectory Surface-Hopping Study on Ultrafast Deactivation Process of Thiophene. The Journal of Physical Chemistry A 2011, 115, 1766–1776.