Hans Lischka

21 papers Journal 16Unranked 5
YearRankTypeTitle / Venue / Authors
2025 J jnl
The Use of Glycan Ensemble Structures and Nonpolar Surface Area Distributions for Correlating with Liquid Chromatography Retention Times.
J. Chem. Inf. Model.
Lucas Modesto-Costa, Reed Nieman, Adélia J. A. Aquino, Yehia Mechref, Hans Lischka
2025 J jnl
Tuning Aromaticity, Stability and Radicaloid Character of Periacenes by Chemical BN Doping.
J. Comput. Chem.
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
2024 J jnl
A multi-descriptor analysis of substituent effects on the structure and aromaticity of benzene derivatives: π-Conjugation versus charge effects.
J. Comput. Chem.
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
2024 J jnl
Foreword to the special issue for Elfi Kraka.
J. Comput. Chem.
Adélia J. A. Aquino, Hans Lischka, Gernot Frenking
2023 J jnl
A comprehensive analysis of charge transfer effects on donor-pyrene (bridge)-acceptor systems using different substituents.
J. Comput. Chem.
Itamar Borges Jr., Roberta M. P. O. Guimarães, Gabriel Monteiro-de-Castro, Nathália M. P. Rosa, Reed Nieman, Hans Lischka, Adélia J. A. Aquino
2023 J jnl
Structural stability and the low-lying singlet and triplet states of BN-
J. Comput. Chem.
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
2016 J jnl
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table.
J. Comput. Chem.
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
2011 J jnl
The charge-transfer states in a stacked nucleobase dimer complex: A benchmark study.
J. Comput. Chem.
Adélia J. A. Aquino, Dana Nachtigallova, Pavel Hobza, Donald G. Truhlar, Christof Hättig, Hans Lischka
2010 J jnl
A grid services cloud for molecular modelling workflows.
Int. J. Web Grid Serv.
Martin Koehler, Matthias Ruckenbauer, Ivan Janciak, Siegfried Benkner, Hans Lischka, Wilfried N. Gansterer
2010 — conf
Supporting Molecular Modeling Workflows within a Grid Services Cloud.
ICCSA (4)
Martin Koehler, Matthias Ruckenbauer, Ivan Janciak, Siegfried Benkner, Hans Lischka, Wilfried N. Gansterer
2010 J jnl
Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environments.
J. Comput. Chem.
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
2007 J jnl
Excited state properties, fluorescence energies, and lifetime of a poly(fluorene-pyridine) copolymer, based on TD-DFT investigation.
J. Comput. Chem.
Rungtiwa Chidthong, Supa Hannongbua, Adélia J. A. Aquino, Peter Wolschann, Hans Lischka
2007 — conf
Nonadiabatic Ab Initio Surface-Hopping Dynamics Calculation in a Grid Environment - First Experiences.
ICCSA (1)
Matthias Ruckenbauer, Ivona Brandic, Siegfried Benkner, Wilfried N. Gansterer, Osvaldo Gervasi, Mario Barbatti, Hans Lischka
2005 — conf
Data Reduction Schemes in Davidson Subspace Diagonalization for MR-CI.
LSSC
Wilfried N. Gansterer, Wolfgang Kreuzer, Hans Lischka
2005 — conf
High-Level Quantum Chemical Methods for the Study of Photochemical Processes.
ICCSA (1)
Hans Lischka, Adélia J. A. Aquino, Mario Barbatti, Mohammad Solimannejad
2003 J jnl
Adsorption of organic substances on broken clay surfaces: A quantum chemical study.
J. Comput. Chem.
Adélia J. A. Aquino, Daniel Tunega, Georg Haberhauer, Martin H. Gerzabek, Hans Lischka
2002 J jnl
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.
Michal Dallos, Hans Lischka, Elizete Ventura Do Monte, Michael Hirsch, Wolfgang Quapp
2002 J jnl
Reducing I/O costs for the eigenvalue procedure in large-scale configuration interaction calculations.
J. Comput. Chem.
Ron L. Shepard, Isaiah Shavitt, Hans Lischka
1997 J jnl
A massively parallel multireference configuration interaction program: The parallel COLUMBUS program.
J. Comput. Chem.
Holger Dachsel, Hans Lischka, Ron L. Shepard, Jarek Nieplocha, Robert J. Harrison
1995 J jnl
Parallel computing in quantum chemistry - Message passing and beyond for a general ab initio program system.
Future Gener. Comput. Syst.
Hans Lischka, Holger Dachsel, Ron L. Shepard, Robert J. Harrison
1994 — conf
Parallel Computing in Quantum Chemistry - Message Passing and Beyond for a General Ab Initio Program System.
HPCN
Hans Lischka, Holger Dachsel, Ron L. Shepard, Robert J. Harrison