Theoretical study of structural, mechanical and spectroscopic properties of boehmite (γ-AlOOH)
Tunega, D, Pašalić, H, Gerzabek, M H, Lischka, H
Published in Journal of physics. Condensed matter (12.10.2011)
Published in Journal of physics. Condensed matter (12.10.2011)
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Journal Article
Conference Proceeding
Excited State Properties of 7-Hydroxy-4-methylcoumarin in the Gas Phase and in Solution. A Theoretical Study
Georgieva, I, Trendafilova, N, Aquino, A, Lischka, H
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (29.12.2005)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (29.12.2005)
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Journal Article
High-level multireference methods in the quantum-chemistry program system COLUMBUS : Analytic MR-CISD and MR-AQCC gradients and MR-AQCC-LRT for excited states, GUGA spin-orbit CI and parallel CI density
LISCHKA, Hans, SHEPARD, Ron, ZHIYONG ZHANG, PITZER, Russell M, SHAVITT, Isaiah, DALLOS, Michal, MÜLLER, Thomas, SZALAY, Péter G, SETH, Michael, KEDZIORA, Gary S, YABUSHITA, Satoshi
Published in PCCP. Physical chemistry chemical physics (Print) (2001)
Published in PCCP. Physical chemistry chemical physics (Print) (2001)
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Conference Proceeding
Journal Article
Upper Limit of the O−H···O Hydrogen Bond. Ab Initio Study of the Kaolinite Structure
Benco, L., Tunega, D., Hafner, J., Lischka, H.
Published in The journal of physical chemistry. B (08.11.2001)
Published in The journal of physical chemistry. B (08.11.2001)
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Journal Article
Formation of 2,4-D complexes on montmorillonites - an ab initio molecular dynamics study
Tunega, D, Gerzabek, M.H, Haberhauer, G, Lischka, H
Published in European journal of soil science (01.06.2007)
Published in European journal of soil science (01.06.2007)
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Journal Article
Interaction of naphthalene derivatives with soil: an experimental and theoretical case study
Winkler, P, Novoszad, M, Gerzabek, M.H, Haberhauer, G, Tunega, D, Lischka, H
Published in European journal of soil science (01.08.2007)
Published in European journal of soil science (01.08.2007)
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Journal Article
Reducing I/O costs for the eigenvalue procedure in large-scale configuration interaction calculations
Shepard, Ron, Shavitt, Isaiah, Lischka, Hans
Published in Journal of computational chemistry (01.08.2002)
Published in Journal of computational chemistry (01.08.2002)
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Journal Article
Response of sorption processes of MCPA to the amount and origin of organic matter in a long-term field experiment
Haberhauer, G., Pfeiffer, L., Gerzabek, M. H., Kirchmann, H., Aquino, A. J. A., Tunega, D., Lischka, H.
Published in European journal of soil science (01.06.2001)
Published in European journal of soil science (01.06.2001)
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Journal Article