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Hans Lischka

Affiliations:

Institute for Theoretical Chemistry and Radiation Chemistry

University of Vienna, Wien, Wien, Austria

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Parents

Gerhard Derflinger	grad student	1961-1969	University of Vienna
Werner Kutzelnigg	post-doc	1972-1973	Universität Karlsruhe

Children

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

Collaborators

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Publications

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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
C A Valente D, do Casal MT, Barbatti M, et al. (2021) Excitonic and charge transfer interactions in tetracene stacked and T-shaped dimers. The Journal of Chemical Physics. 154: 044306

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