Publikationen von Lasse Spörkel

Zeitschriftenartikel (8)

2018
Zeitschriftenartikel
Tuna, D.; Spörkel, L.; Barbatti, M.; Thiel, W. Nonadiabatic dynamics simulations of photoexcited urocanic acid. Chemical Physics 2018, 515, 521–534.
Zeitschriftenartikel
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.
2016
Zeitschriftenartikel
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.
Zeitschriftenartikel
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.
Zeitschriftenartikel
Spörkel, L.; Thiel, W. Adaptive time steps in trajectory surface hopping simulations. The Journal of Chemical Physics 2016, 144, 194108/1–194108/8.
2015
Zeitschriftenartikel
Spörkel, L.; Jankowska, J.; Thiel, W. Photoswitching of Salicylidene Methylamine: A Theoretical Photodynamics Study. Journal of Physical Chemistry B 2015, 119, 2702–2710.
2014
Zeitschriftenartikel
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.
2013
Zeitschriftenartikel
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.

Hochschulschrift - Doktorarbeit (1)

2016
Hochschulschrift - Doktorarbeit
Spörkel, L. Application and development of semiempirical quantum chemical methods for the investigation of the dynamics of electronically excited states. Doktorarbeit, Heinrich-Heine Universität, Düsseldorf, 2016.
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