Hans Lischka

According to our database, Hans Lischka authored at least 20 papers between 1995 and 2025.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2025

The Use of Glycan Ensemble Structures and Nonpolar Surface Area Distributions for Correlating with Liquid Chromatography Retention Times.

Lucas Modesto-Costa, Reed Nieman, Adélia J. A. Aquino, Yehia Mechref, Hans Lischka

J. Chem. Inf. Model., 2025

Tuning Aromaticity, Stability and Radicaloid Character of Periacenes by Chemical BN Doping.

Luan G. F. dos Santos, Julio C. V. Chagas, Luiz F. A. Ferrão, Adélia J. A. Aquino, Reed Nieman, Hans Lischka, Francisco B. C. Machado

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.

Julio C. V. Chagas, Bruno D. Milanez, Vytor P. Oliveira, Max Pinheiro Jr, Luiz F. A. Ferrão, Adélia J. A. Aquino, Hans Lischka, Francisco B. C. Machado

J. Comput. Chem., May, 2024

Foreword to the special issue for Elfi Kraka.

Adélia J. A. Aquino, Hans Lischka, Gernot Frenking

J. Comput. Chem., 2024

2023

Structural stability and the low-lying singlet and triplet states of BN-<i>n</i>-acenes, <i>n</i> = 1-7.

Bruno D. Milanez, Gustavo M. dos Santos, Max Pinheiro Jr, Leonardo T. Ueno, Luiz F. A. Ferrão, Adélia J. A. Aquino, Hans Lischka, Francisco B. C. Machado

J. Comput. Chem., March, 2023

A comprehensive analysis of charge transfer effects on donor-pyrene (bridge)-acceptor systems using different substituents.

Itamar Borges Jr., Roberta M. P. O. Guimarães, Gabriel Monteiro-de-Castro, Nathália M. P. Rosa, Reed Nieman, Hans Lischka, Adélia J. A. Aquino

J. Comput. Chem., 2023

2016

Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table.

Francesco Aquilante, Jochen Autschbach, Rebecca K. Carlson, Liviu F. Chibotaru, Mickaël G. Delcey, Luca De Vico, Ignacio Fdez. Galván, Nicolas Ferré, Luis Manuel Frutos, Laura Gagliardi, Marco Garavelli, Angelo Giussani, Chad E. Hoyer, Giovanni Li Manni, Hans Lischka, Dongxia Ma, Per-Åke Malmqvist, Thomas Müller, Artur Nenov, Massimo Olivucci, Thomas Bondo Pedersen, Daoling Peng, Felix Plasser, Ben Pritchard, Markus Reiher, Ivan Rivalta, Igor Schapiro, Javier Segarra-Martí, Michael Stenrup, Donald G. Truhlar, Liviu Ungur, Alessio Valentini, Steven Vancoillie, Valera Veryazov, Victor P. Vysotskiy, Oliver Weingart, Felipe Zapata, Roland Lindh

J. Comput. Chem., 2016

2011

The charge-transfer states in a stacked nucleobase dimer complex: A benchmark study.

Adélia J. A. Aquino, Dana Nachtigallova, Pavel Hobza, Donald G. Truhlar, Christof Hättig, Hans Lischka

J. Comput. Chem., 2011

2010

Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environments.

Hasan Pasalic, Adélia J. A. Aquino, Daniel Tunega, Georg Haberhauer, Martin H. Gerzabek, Herbert C. Georg, Tatiane F. Moraes, Kaline Coutinho, Sylvio Canuto, Hans Lischka

J. Comput. Chem., 2010

A grid services cloud for molecular modelling workflows.

Martin Koehler, Matthias Ruckenbauer, Ivan Janciak, Siegfried Benkner, Hans Lischka, Wilfried N. Gansterer

Int. J. Web Grid Serv., 2010

Supporting Molecular Modeling Workflows within a Grid Services Cloud.

Martin Koehler, Matthias Ruckenbauer, Ivan Janciak, Siegfried Benkner, Hans Lischka, Wilfried N. Gansterer

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.

Rungtiwa Chidthong, Supa Hannongbua, Adélia J. A. Aquino, Peter Wolschann, Hans Lischka

J. Comput. Chem., 2007

Nonadiabatic Ab Initio Surface-Hopping Dynamics Calculation in a Grid Environment - First Experiences.

Matthias Ruckenbauer, Ivona Brandic, Siegfried Benkner, Wilfried N. Gansterer, Osvaldo Gervasi, Mario Barbatti, Hans Lischka

Proceedings of the Computational Science and Its Applications, 2007

2005

Data Reduction Schemes in Davidson Subspace Diagonalization for MR-CI.

Wilfried N. Gansterer, Wolfgang Kreuzer, Hans Lischka

Proceedings of the Large-Scale Scientific Computing, 5th International Conference, 2005

High-Level Quantum Chemical Methods for the Study of Photochemical Processes.

Hans Lischka, Adélia J. A. Aquino, Mario Barbatti, Mohammad Solimannejad

Proceedings of the Computational Science and Its Applications, 2005

2003

Adsorption of organic substances on broken clay surfaces: A quantum chemical study.

Adélia J. A. Aquino, Daniel Tunega, Georg Haberhauer, Martin H. Gerzabek, Hans Lischka

J. Comput. Chem., 2003

2002

Reducing I/O costs for the eigenvalue procedure in large-scale configuration interaction calculations.

Ron L. Shepard, Isaiah Shavitt, Hans Lischka

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.

Michal Dallos, Hans Lischka, Elizete Ventura Do Monte, Michael Hirsch, Wolfgang Quapp

J. Comput. Chem., 2002

1997

A massively parallel multireference configuration interaction program: The parallel COLUMBUS program.

Holger Dachsel, Hans Lischka, Ron L. Shepard, Jarek Nieplocha, Robert J. Harrison

J. Comput. Chem., 1997

1995

Parallel computing in quantum chemistry - Message passing and beyond for a general ab initio program system.

Hans Lischka, Holger Dachsel, Ron L. Shepard, Robert J. Harrison

Future Gener. Comput. Syst., 1995