Hans Lischka
Orcid: 0000-0002-5656-3975
According to our database1,
Hans Lischka
authored at least 20 papers
between 1994 and 2025.
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Bibliography
2025
The Use of Glycan Ensemble Structures and Nonpolar Surface Area Distributions for Correlating with Liquid Chromatography Retention Times.
J. Chem. Inf. Model., 2025
Tuning Aromaticity, Stability and Radicaloid Character of Periacenes by Chemical BN Doping.
J. Comput. Chem., 2025
2024
A multi-descriptor analysis of substituent effects on the structure and aromaticity of benzene derivatives: π-Conjugation versus charge effects.
J. Comput. Chem., May, 2024
2023
Structural stability and the low-lying singlet and triplet states of BN-<i>n</i>-acenes, <i>n</i> = 1-7.
J. Comput. Chem., March, 2023
A comprehensive analysis of charge transfer effects on donor-pyrene (bridge)-acceptor systems using different substituents.
J. Comput. Chem., 2023
2016
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table.
J. Comput. Chem., 2016
2011
J. Comput. Chem., 2011
2010
Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environments.
J. Comput. Chem., 2010
Int. J. Web Grid Serv., 2010
Proceedings of the Computational Science and Its Applications, 2010
2007
Excited state properties, fluorescence energies, and lifetime of a poly(fluorene-pyridine) copolymer, based on TD-DFT investigation.
J. Comput. Chem., 2007
Nonadiabatic Ab Initio Surface-Hopping Dynamics Calculation in a Grid Environment - First Experiences.
Proceedings of the Computational Science and Its Applications, 2007
2005
Proceedings of the Large-Scale Scientific Computing, 5th International Conference, 2005
Proceedings of the Computational Science and Its Applications, 2005
2003
J. Comput. Chem., 2003
2002
Reducing I/O costs for the eigenvalue procedure in large-scale configuration interaction calculations.
J. Comput. Chem., 2002
Determination of energy minima and saddle points using multireference configuration interaction methods in combination with reduced gradient following: The S0 surface of H2CO and the T1 and T2 surfaces of acetylene.
J. Comput. Chem., 2002
1997
A massively parallel multireference configuration interaction program: The parallel COLUMBUS program.
J. Comput. Chem., 1997
1994
Parallel Computing in Quantum Chemistry - Message Passing and Beyond for a General Ab Initio Program System.
Proceedings of the High-Performance Computing and Networking, 1994