| 2011 | ||
|---|---|---|
| 13 | 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. Journal of Computational Chemistry 32(7): 1217-1227 (2011) | |
| 2010 | ||
| 12 | 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: 13-28 | |
| 11 | Martin Koehler, Matthias Ruckenbauer, Ivan Janciak, Siegfried Benkner, Hans Lischka, Wilfried N. Gansterer: A grid services cloud for molecular modelling workflows. IJWGS 6(2): 176-195 (2010) | |
| 10 | 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. Journal of Computational Chemistry 31(10): 2046-2055 (2010) | |
| 2007 | ||
| 9 | 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: 281-294 | |
| 8 | 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. Journal of Computational Chemistry 28(10): 1735-1742 (2007) | |
| 2005 | ||
| 7 | Hans Lischka, Adélia J. A. Aquino, Mario Barbatti, Mohammad Solimannejad: High-Level Quantum Chemical Methods for the Study of Photochemical Processes. ICCSA (1) 2005: 1004-1011 | |
| 6 | Wilfried N. Gansterer, Wolfgang Kreuzer, Hans Lischka: Data Reduction Schemes in Davidson Subspace Diagonalization for MR-CI. LSSC 2005: 564-571 | |
| 2003 | ||
| 5 | 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. Journal of Computational Chemistry 24(15): 1853-1863 (2003) | |
| 2002 | ||
| 4 | Ron L. Shepard, Isaiah Shavitt, Hans Lischka: Reducing I/O costs for the eigenvalue procedure in large-scale configuration interaction calculations. Journal of Computational Chemistry 23(11): 1121-1125 (2002) | |
| 3 | 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. Journal of Computational Chemistry 23(5): 576-583 (2002) | |
| 1997 | ||
| 2 | Holger Dachsel, Hans Lischka, Ron L. Shepard, Jarek Nieplocha, Robert J. Harrison: A massively parallel multireference configuration interaction program: The parallel COLUMBUS program. Journal of Computational Chemistry 18(3): 430-448 (1997) | |
| 1994 | ||
| 1 | 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: 203-209 | |
| 1 | Adélia J. A. Aquino | [5] [7] [8] [10] [13] |
| 2 | Mario Barbatti | [7] [9] |
| 3 | Siegfried Benkner | [9] [11] [12] |
| 4 | Ivona Brandic | [9] |
| 5 | Sylvio Canuto | [10] |
| 6 | Rungtiwa Chidthong | [8] |
| 7 | Kaline Coutinho | [10] |
| 8 | Holger Dachsel | [1] [2] |
| 9 | Michal Dallos | [3] |
| 10 | Wilfried N. Gansterer | [6] [9] [11] [12] |
| 11 | Herbert C. Georg | [10] |
| 12 | Osvaldo Gervasi | [9] |
| 13 | Martin H. Gerzabek | [5] [10] |
| 14 | Georg Haberhauer | [5] [10] |
| 15 | Supa Hannongbua | [8] |
| 16 | Robert J. Harrison | [1] [2] |
| 17 | Christof Hättig | [13] |
| 18 | Michael Hirsch | [3] |
| 19 | Pavel Hobza | [13] |
| 20 | Ivan Janciak | [11] [12] |
| 21 | Martin Koehler | [11] [12] |
| 22 | Wolfgang Kreuzer | [6] |
| 23 | Elizete Ventura Do Monte | [3] |
| 24 | Tatiane F. Moraes | [10] |
| 25 | Dana Nachtigallova | [13] |
| 26 | Jarek Nieplocha | [2] |
| 27 | Hasan Pasalic | [10] |
| 28 | Wolfgang Quapp | [3] |
| 29 | Matthias Ruckenbauer | [9] [11] [12] |
| 30 | Isaiah Shavitt | [4] |
| 31 | Ron L. Shepard | [1] [2] [4] |
| 32 | Mohammad Solimannejad | [7] |
| 33 | Donald G. Truhlar | [13] |
| 34 | Daniel Tunega | [5] [10] |
| 35 | Peter Wolschann | [8] |
Colors in the list of coauthors
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