Thomas Bredow

23 papers Journal 23
YearRankTypeTitle / Venue / Authors
2024 J jnl
Extended benchmark set for lattice parameters of inorganic solids.
J. Comput. Chem.
Elodie Fernandes Lima, Thomas Bredow
2023 J jnl
BSSE-corrected consistent Gaussian basis sets of triple-zeta valence quality of the lanthanides La-Lu for solid-state calculations.
J. Comput. Chem.
Leopold Maximilian Seidler, Joachim Laun, Thomas Bredow
2022 J jnl
BSSE-corrected consistent Gaussian basis sets of triple-zeta valence with polarization quality of the fifth period for solid-state calculations.
J. Comput. Chem.
Joachim Laun, Thomas Bredow
2021 J jnl
BSSE-corrected consistent Gaussian basis sets of triple-zeta valence with polarization quality of the sixth period for solid-state calculations.
J. Comput. Chem.
Joachim Laun, Thomas Bredow
2020 J jnl
Critical Assessment of the DFT + U Approach for the Prediction of Vanadium Dioxide Properties.
J. Comput. Chem.
Berenike Stahl, Thomas Bredow
2019 J jnl
BSSE-correction scheme for consistent gaussian basis sets of double- and triple-zeta valence with polarization quality for solid-state calculations.
J. Comput. Chem.
Daniel Vilela Oliveira, Joachim Laun, Michael F. Peintinger, Thomas Bredow
2018 J jnl
BonnMag: Computer program for ligand-field analysis of
J. Comput. Chem.
Anna Bronova, Thomas Bredow, Robert Glaum, Mark J. Riley, Werner Urland
2018 J jnl
Consistent gaussian basis sets of double- and triple-zeta valence with polarization quality of the fifth period for solid-state calculations.
J. Comput. Chem.
Joachim Laun, Daniel Vilela Oliveira, Thomas Bredow
2015 J jnl
Adsorption-induced changes of intramolecular optical transitions: PTCDA/NaCl and PTCDA/KCl.
J. Comput. Chem.
Manuel Hochheim, Thomas Bredow
2015 J jnl
Structure and stability of supramolecular crown ether complexes.
J. Comput. Chem.
Kim Julia Hintze, Arne Lützen, Thomas Bredow
2014 J jnl
Conductor-like screening model for relaxed excited states: Implementation in the semiempirical method MSINDO.
J. Comput. Chem.
Katharina Krause, Thomas Bredow
2014 J jnl
The cyclic cluster model at hartree-fock level.
J. Comput. Chem.
Michael F. Peintinger, Thomas Bredow
2013 J jnl
Consistent gaussian basis sets of Triple-Zeta valence with polarization quality for solid-State Calculations.
J. Comput. Chem.
Michael F. Peintinger, Daniel Vilela Oliveira, Thomas Bredow
2012 J jnl
Electronic structure and thermodynamics of V2O3 polymorphs.
J. Comput. Chem.
Claudia Wessel, Christoph Reimann, Alexander Müller, Dominik Weber, Martin Lerch, Thorsten Ressler, Thomas Bredow, Richard Dronskowski
2012 J jnl
Implementation of empirical dispersion corrections to density functional theory for periodic systems.
J. Comput. Chem.
Werner Reckien, Florian Janetzko, Michael F. Peintinger, Thomas Bredow
2011 J jnl
The effect of iron and copper impurities on the wettability of sphalerite (110) surface.
J. Comput. Chem.
Darren J. Simpson, Thomas Bredow, Anand P. Chandra, Giuseppe P. Cavallaro, Andrea R. Gerson
2010 J jnl
Assessment of quantum-chemical methods for electronic properties and geometry of signaling biomolecules.
J. Comput. Chem.
Noel Ferro, Thomas Bredow
2009 J jnl
MSINDO study of acid promoted dissolution of planar MgO and NiO surfaces.
J. Comput. Chem.
Darren J. Simpson, Thomas Bredow, Andrea R. Gerson
2008 J jnl
Boron-doped diamond: Investigation of the stability of surface-doping versus bulk-doping using cyclic cluster model calculations.
J. Comput. Chem.
Florian Janetzko, Thomas Bredow, Gerald Geudtner, Andreas M. Köster
2004 J jnl
Models for the treatment of crystalline solids and surfaces.
J. Comput. Chem.
Karl Jug, Thomas Bredow
2004 J jnl
Molecular dynamics implementation in MSINDO: Study of silicon clusters.
J. Comput. Chem.
Nisanth N. Nair, Thomas Bredow, Karl Jug
2001 J jnl
Development of the cyclic cluster approach for ionic systems.
J. Comput. Chem.
Thomas Bredow, Gerald Geudtner, Karl Jug
2001 J jnl
MSINDO parameterization for third-row transition metals.
J. Comput. Chem.
Thomas Bredow, Gerald Geudtner, Karl Jug