Hans Lischka

Institute for Theoretical Chemistry and Radiation Chemistry University of Vienna, Wien, Wien, Austria 
"Hans Lischka"
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Stephan Irle grad student 1993-1997 University of Vienna
Mario Barbatti post-doc 2004-2010 University of Vienna (Physics Tree)
Vudhichai Parasuk research scientist 1996-1996 Vienna
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Mukherjee S, Mattos RS, Toldo JM, et al. (2024) Prediction Challenge: Simulating Rydberg photoexcited cyclobutanone with surface hopping dynamics based on different electronic structure methods. The Journal of Chemical Physics. 160
do Monte SA, Spada RFK, Alves RLR, et al. (2023) Quantification of the Ionic Character of Multiconfigurational Wave Functions: The Diagnostic. The Journal of Physical Chemistry. A
Nieman R, Oliveira VP, Jayee B, et al. (2023) High-Level Multireference Investigations on the Electronic States in Single-Vacancy (SV) Graphene Defects Using a Pyrene-SV Model. The Journal of Physical Chemistry. A. 127: 8287-8296
Borges I, Guimarães RMPO, Monteiro-de-Castro G, et al. (2023) A comprehensive analysis of charge transfer effects on donor-pyrene (bridge)-acceptor systems using different substituents. Journal of Computational Chemistry
Li Manni G, Fdez Galván I, Alavi A, et al. (2023) The OpenMolcas : A Community-Driven Approach to Advancing Computational Chemistry. Journal of Chemical Theory and Computation
Mattos RS, Burghardt I, Aquino AJA, et al. (2022) On the Cooperative Origin of Solvent-Enhanced Symmetry-Breaking Charge Transfer in a Covalently Bound Tetracene Dimer Leading to Singlet Fission. Journal of the American Chemical Society. 144: 23492-23504
Milanez BD, Dos Santos GM, Pinheiro M, et al. (2022) Structural stability and the low-lying singlet and triplet states of BN-n-acenes, n = 1-7. Journal of Computational Chemistry
Braun G, Borges I, Aquino AJA, et al. (2022) Non-Kasha fluorescence of pyrene emerges from a dynamic equilibrium between excited states. The Journal of Chemical Physics. 157: 154305
Barbatti M, Bondanza M, Crespo-Otero R, et al. (2022) Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles. Journal of Chemical Theory and Computation
Li Y, Siddique F, Aquino AJA, et al. (2021) Molecular Dynamics Simulation of the Excited-State Proton Transfer Mechanism in 3-Hydroxyflavone Using Explicit Hydration Models. The Journal of Physical Chemistry. A
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