Hans Lischka

Publication Activity (10 Years)

Years Active: 1994-2024
Publications (10 Years): 5

Top Topics

Comprehensive Analysis

Processing Capabilities

Top Venues

J. Comput. Chem.

Publications

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
A multi-descriptor analysis of substituent effects on the structure and aromaticity of benzene derivatives: π-Conjugation versus charge effects. J. Comput. Chem. 45 (12) (2024)
Adélia J. A. Aquino, Hans Lischka, Gernot Frenking
Foreword to the special issue for Elfi Kraka. J. Comput. Chem. 45 (19, July) (2024)
Itamar Borges Jr., Roberta M. P. O. Guimarães, Gabriel Monteiro-de-Castro, Nathália M. P. Rosa, Reed Nieman, Hans Lischka, Adélia J. A. Aquino
A comprehensive analysis of charge transfer effects on donor-pyrene (bridge)-acceptor systems using different substituents. J. Comput. Chem. 44 (31) (2023)
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
= 1-7. J. Comput. Chem. 44 (6) (2023)
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
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table. J. Comput. Chem. 37 (5) (2016)
Adélia J. A. Aquino, Dana Nachtigallova, Pavel Hobza, Donald G. Truhlar, Christof Hättig, Hans Lischka
The charge-transfer states in a stacked nucleobase dimer complex: A benchmark study. J. Comput. Chem. 32 (7) (2011)
Martin Koehler, Matthias Ruckenbauer, Ivan Janciak, Siegfried Benkner, Hans Lischka, Wilfried N. Gansterer
Supporting Molecular Modeling Workflows within a Grid Services Cloud. ICCSA (4) (2010)
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
Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environments. J. Comput. Chem. 31 (10) (2010)
Martin Koehler, Matthias Ruckenbauer, Ivan Janciak, Siegfried Benkner, Hans Lischka, Wilfried N. Gansterer
A grid services cloud for molecular modelling workflows. Int. J. Web Grid Serv. 6 (2) (2010)
Matthias Ruckenbauer, Ivona Brandic, Siegfried Benkner, Wilfried N. Gansterer, Osvaldo Gervasi, Mario Barbatti, Hans Lischka
Nonadiabatic Ab Initio Surface-Hopping Dynamics Calculation in a Grid Environment - First Experiences. ICCSA (1) (2007)
Rungtiwa Chidthong, Supa Hannongbua, Adélia J. A. Aquino, Peter Wolschann, Hans Lischka
Excited state properties, fluorescence energies, and lifetime of a poly(fluorene-pyridine) copolymer, based on TD-DFT investigation. J. Comput. Chem. 28 (10) (2007)
Wilfried N. Gansterer, Wolfgang Kreuzer, Hans Lischka
Data Reduction Schemes in Davidson Subspace Diagonalization for MR-CI. LSSC (2005)
Hans Lischka, Adélia J. A. Aquino, Mario Barbatti, Mohammad Solimannejad
High-Level Quantum Chemical Methods for the Study of Photochemical Processes. ICCSA (1) (2005)
Adélia J. A. Aquino, Daniel Tunega, Georg Haberhauer, Martin H. Gerzabek, Hans Lischka
Adsorption of organic substances on broken clay surfaces: A quantum chemical study. J. Comput. Chem. 24 (15) (2003)
Michal Dallos, Hans Lischka, Elizete Ventura Do Monte, Michael Hirsch, Wolfgang Quapp
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. 23 (5) (2002)
Ron L. Shepard, Isaiah Shavitt, Hans Lischka
Reducing I/O costs for the eigenvalue procedure in large-scale configuration interaction calculations. J. Comput. Chem. 23 (11) (2002)
Holger Dachsel, Hans Lischka, Ron L. Shepard, Jarek Nieplocha, Robert J. Harrison
A massively parallel multireference configuration interaction program: The parallel COLUMBUS program. J. Comput. Chem. 18 (3) (1997)
Hans Lischka, Holger Dachsel, Ron L. Shepard, Robert J. Harrison
Parallel computing in quantum chemistry - Message passing and beyond for a general ab initio program system. Future Gener. Comput. Syst. 11 (4-5) (1995)
Hans Lischka, Holger Dachsel, Ron L. Shepard, Robert J. Harrison
Parallel Computing in Quantum Chemistry - Message Passing and Beyond for a General Ab Initio Program System. HPCN (1994)