Marek Sierka

发表

Linear Scaling Hierarchical Integration Scheme for the Exchange-Correlation Term in Molecular and Periodic Systems.

Asbjörn M Burow, Marek Sierka, Asbjörn M. Burow, 2011, Journal of chemical theory and computation.

Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Stress tensor

Marek Sierka, Martin Becker, M. Sierka, 2019, J. Comput. Chem..

TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

Thomas Müller, Marek Sierka, Arnim Hellweg, 2020, The Journal of chemical physics.

Forsøk med bruk av biletetelefon ved muntleg eksamen i kjemi

Marek Sierka, Knut J. Børve, Inge Røeggen, 1996 .

Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Analytical gradients

Marek Sierka, Roman Lazarski, Asbjörn M. Burow, 2016, J. Comput. Chem..

Thermodynamic compatibility of actives encapsulated into PEG‐PLA nanoparticles: In Silico predictions and experimental verification

Ulrich S. Schubert, Marek Sierka, Stephanie Schubert, 2016, J. Comput. Chem..

Ab Initio energetics of SiO bond cleavage

Marek Sierka, Andreas Erlebach, Carolin Hühn, 2017, J. Comput. Chem..

Marek Sierka, Benjamin Helmich, M. Sierka, 2012, J. Comput. Chem..

Application of semiempirical long‐range dispersion corrections to periodic systems in density functional theory

Joachim Sauer, Marek Sierka, Torsten Kerber, 2008, J. Comput. Chem..

Real‐time time‐dependent density functional theory using density fitting and the continuous fast multipole method

Marek Sierka, Carolin Müller, Manas Sharma, 2020, J. Comput. Chem..

CdO and ZnO Clusters as Potential Building Blocks for Cluster-Assembled Materials : A Combined Experimental and Theoretical Study

Marek Sierka, Gerd Ganteför, Roman Łazarski, 2015 .

Oxygen adsorption on Mo(112) surface studied by ab initio genetic algorithm and experiment.

Joachim Sauer, Marek Sierka, Hans-Joachim Freund, 2007, The Journal of chemical physics.

Identification of conical structures in small aluminum oxide clusters: infrared spectroscopy of (Al2O3)1-4(AlO)+.

Joachim Sauer, Marek Sierka, Shaohui Li, 2008, Journal of the American Chemical Society.

Synergy between theory and experiment in structure resolution of low-dimensional oxides

Marek Sierka, M. Sierka, 2010 .

Combining quantum mechanics and interatomic potential functions in ab initio studies of extended systems

Joachim Sauer, Marek Sierka, M. Sierka, 2000, Journal of Computational Chemistry.

Unexpected structures of aluminum oxide clusters in the gas phase.

Joachim Sauer, Marek Sierka, Ludger Wöste, 2007, Angewandte Chemie.

Electron hole formation in acidic zeolite catalysts.

Joachim Sauer, Marek Sierka, Mariona Sodupe, 2004, The Journal of chemical physics.

Point defects in CaF2 and CeO2 investigated by the periodic electrostatic embedded cluster method.

Joachim Sauer, Asbjörn M Burow, Marek Sierka, 2009, The Journal of chemical physics.

Stabilities of C3–C5 alkoxide species inside H-FER zeolite: a hybrid QM/MM study

Joachim Sauer, Marek Sierka, Dmitry Yu. Murzin, 2005 .

Aluminum siting in silicon-rich zeolite frameworks: a combined high-resolution (27)Al NMR spectroscopy and quantum mechanics / molecular mechanics study of ZSM-5.

Joachim Sauer, Marek Sierka, Chengbin Li, 2007, Angewandte Chemie.

Structure and reactivity of silica and zeolite catalysts by a combined quantum mechanics[ndash ]shell-model potential approach based on DFT

Marek Sierka, M. Sierka, and Joachim Sauer, 1997 .

Combining quantum mechanics and interatomic potential functions in ab initio studies of extended systems

Joachim Sauer, Marek Sierka, M. Sierka, 2000 .

Fast evaluation of the Coulomb potential for electron densities using multipole accelerated resolution of identity approximation

Marek Sierka, M. Sierka, R. Ahlrichs, 2003 .

Structure determination of neutral MgO clusters--hexagonal nanotubes and cages.

Joachim Sauer, Marek Sierka, Karolina Kwapien, 2012, Physical chemistry chemical physics : PCCP.

Aluminium siting in the ZSM-5 framework by combination of high resolution 27Al NMR and DFT/MM calculations.

Joachim Sauer, Marek Sierka, Chengbin Li, 2009, Physical chemistry chemical physics : PCCP.

Finding transition structures in extended systems: A strategy based on a combined quantum mechanics–empirical valence bond approach

Joachim Sauer, Marek Sierka, M. Sierka, 2000 .

Combined Quantum Mechanics: Interatomic Potential Function Investigation of rac-meso Configurational Stability and Rotational Transition in Zirconocene-Based Ziegler−Natta Catalysts

Joachim Sauer, Marek Sierka, Amitesh Maiti, 2000 .

Translational proton motion in zeolite H-ZSM-5. Energy barriers and jump rates from DFT calculations

Joachim Sauer, Marek Sierka, Ulrich Simon, 2002 .

Structure and properties of bimetallic titanium and vanadium oxide clusters.

Joachim Sauer, Marek Sierka, Jens Döbler, 2014, Physical chemistry chemical physics : PCCP.