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 515, S. 521 - 534 (2018)
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 20 (16), S. 11067 - 11080 (2018)
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 12 (3), S. 1097 - 1120 (2016)
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 12 (3), S. 1082 - 1096 (2016)
Zeitschriftenartikel
Spörkel, L.; Thiel, W.: Adaptive time steps in trajectory surface hopping simulations. The Journal of Chemical Physics 144, S. 194108/1 - 194108/8 (2016)
2015
Zeitschriftenartikel
Spörkel, L.; Jankowska, J.; Thiel, W.: Photoswitching of Salicylidene Methylamine: A Theoretical Photodynamics Study. Journal of Physical Chemistry B 119 (6), S. 2702 - 2710 (2015)
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 118 (1), S. 152 - 157 (2014)
2013
Zeitschriftenartikel
Spörkel, L.; Cui, G.; Thiel, W.: Photodynamics of Schiff Base Salicylideneaniline: Trajectory Surface-Hopping Simulations. The Journal of Physical Chemistry A 117 (22), S. 4574 - 4583 (2013)

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. Dissertation, 115 S., Heinrich-Heine Universität, Düsseldorf (2016)
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