Publications of Lasse Spörkel

Tuna, D.; Spörkel, L.; Barbatti, M.; Thiel, W. Nonadiabatic Dynamics Simulations of Photoexcited Urocanic Acid. Chemical Physics 2018, 515, 521–534.

Armengol, P.; Spörkel, L.; Gelabert, R.; Moreno, M.; Thiel, W.; Lluch, J. M. Ultrafast Action Chemistry in Slow Motion: Atomistic Description of the Excitation and Fluorescence Processes in an Archetypal Fluorescent Protein. Physical Chemistry Chemical Physics 2018, 20, 11067–11080.

Dral, P. O.; Wu, X.; Spörkel, L.; Koslowski, A.; Thiel, W. Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Benchmarks for Ground-State Properties. Journal of Chemical Theory and Computation 2016, 12, 1097–1120.

Dral, P. O.; Wu, X.; Spörkel, L.; Koslowski, A.; Weber, W.; Steiger, R.; Scholten, M.; Thiel, W. Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Theory, Implementation, and Parameters. Journal of Chemical Theory and Computation 2016, 12, 1082–1096.

Spörkel, L.; Thiel, W. Adaptive Time Steps in Trajectory Surface Hopping Simulations. The Journal of Chemical Physics 2016, 144, 194108/1–194108/8.

Spörkel, L.; Jankowska, J.; Thiel, W. Photoswitching of Salicylidene Methylamine: A Theoretical Photodynamics Study. Journal of Physical Chemistry B 2015, 119, 2702–2710.

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.

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.

Spörkel, L. Application and Development of Semiempirical Quantum Chemical Methods for the Investigation of the Dynamics of Electronically Excited States. PhD Thesis, Heinrich-Heine-Universität Düsseldorf, Düsseldorf, 2016.