Publications of Lasse Spörkel

Tuna, D.; Spörkel, L.; Barbatti, M.; Thiel, W.: Nonadiabatic dynamics simulations of photoexcited urocanic acid. Chemical Physics 515, pp. 521 - 534 (2018)

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), pp. 11067 - 11080 (2018)

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), pp. 1097 - 1120 (2016)

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), pp. 1082 - 1096 (2016)

Spörkel, L.; Thiel, W.: Adaptive time steps in trajectory surface hopping simulations. The Journal of Chemical Physics 144, pp. 194108/1 - 194108/8 (2016)

Spörkel, L.; Jankowska, J.; Thiel, W.: Photoswitching of Salicylidene Methylamine: A Theoretical Photodynamics Study. Journal of Physical Chemistry B 119 (6), pp. 2702 - 2710 (2015)

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), pp. 152 - 157 (2014)

Spörkel, L.; Cui, G.; Thiel, W.: Photodynamics of Schiff Base Salicylideneaniline: Trajectory Surface-Hopping Simulations. The Journal of Physical Chemistry A 117 (22), pp. 4574 - 4583 (2013)

Spörkel, L.: Application and development of semiempirical quantum chemical methods for the investigation of the dynamics of electronically excited states. Dissertation, 115 pp., Heinrich-Heine-Universität Düsseldorf, Düsseldorf (2016)