Thomas Bredow

Publication Activity (10 Years)

Years Active: 2001-2023
Publications (10 Years): 9

Top Topics

Top Venues

J. Comput. Chem.

Publications

Leopold Maximilian Seidler, Joachim Laun, Thomas Bredow
BSSE-corrected consistent Gaussian basis sets of triple-zeta valence quality of the lanthanides La-Lu for solid-state calculations. J. Comput. Chem. 44 (15) (2023)
Joachim Laun, Thomas Bredow
BSSE-corrected consistent Gaussian basis sets of triple-zeta valence with polarization quality of the fifth period for solid-state calculations. J. Comput. Chem. 43 (12) (2022)
Joachim Laun, Thomas Bredow
BSSE-corrected consistent Gaussian basis sets of triple-zeta valence with polarization quality of the sixth period for solid-state calculations. J. Comput. Chem. 42 (15) (2021)
Berenike Stahl, Thomas Bredow
Critical Assessment of the DFT + U Approach for the Prediction of Vanadium Dioxide Properties. J. Comput. Chem. 41 (3) (2020)
Daniel Vilela Oliveira, Joachim Laun, Michael F. Peintinger, Thomas Bredow
BSSE-correction scheme for consistent gaussian basis sets of double- and triple-zeta valence with polarization quality for solid-state calculations. J. Comput. Chem. 40 (27) (2019)
Joachim Laun, Daniel Vilela Oliveira, Thomas Bredow
Consistent gaussian basis sets of double- and triple-zeta valence with polarization quality of the fifth period for solid-state calculations. J. Comput. Chem. 39 (19) (2018)
Anna Bronova, Thomas Bredow, Robert Glaum, Mark J. Riley, Werner Urland
systems within the angular overlap model. J. Comput. Chem. 39 (3) (2018)
Kim Julia Hintze, Arne Lützen, Thomas Bredow
Structure and stability of supramolecular crown ether complexes. J. Comput. Chem. 36 (19) (2015)
Manuel Hochheim, Thomas Bredow
Adsorption-induced changes of intramolecular optical transitions: PTCDA/NaCl and PTCDA/KCl. J. Comput. Chem. 36 (24) (2015)
Michael F. Peintinger, Thomas Bredow
The cyclic cluster model at hartree-fock level. J. Comput. Chem. 35 (11) (2014)
Katharina Krause, Thomas Bredow
Conductor-like screening model for relaxed excited states: Implementation in the semiempirical method MSINDO. J. Comput. Chem. 35 (7) (2014)
Michael F. Peintinger, Daniel Vilela Oliveira, Thomas Bredow
Consistent gaussian basis sets of Triple-Zeta valence with polarization quality for solid-State Calculations. J. Comput. Chem. 34 (6) (2013)
Claudia Wessel, Christoph Reimann, Alexander Müller, Dominik Weber, Martin Lerch, Thorsten Ressler, Thomas Bredow, Richard Dronskowski
Electronic structure and thermodynamics of V2O3 polymorphs. J. Comput. Chem. 33 (26) (2012)
Werner Reckien, Florian Janetzko, Michael F. Peintinger, Thomas Bredow
Implementation of empirical dispersion corrections to density functional theory for periodic systems. J. Comput. Chem. 33 (25) (2012)
Darren J. Simpson, Thomas Bredow, Anand P. Chandra, Giuseppe P. Cavallaro, Andrea R. Gerson
The effect of iron and copper impurities on the wettability of sphalerite (110) surface. J. Comput. Chem. 32 (9) (2011)
Noel Ferro, Thomas Bredow
Assessment of quantum-chemical methods for electronic properties and geometry of signaling biomolecules. J. Comput. Chem. 31 (5) (2010)
Darren J. Simpson, Thomas Bredow, Andrea R. Gerson
MSINDO study of acid promoted dissolution of planar MgO and NiO surfaces. J. Comput. Chem. 30 (4) (2009)
Florian Janetzko, Thomas Bredow, Gerald Geudtner, Andreas M. Köster
Boron-doped diamond: Investigation of the stability of surface-doping versus bulk-doping using cyclic cluster model calculations. J. Comput. Chem. 29 (13) (2008)
Nisanth N. Nair, Thomas Bredow, Karl Jug
Molecular dynamics implementation in MSINDO: Study of silicon clusters. J. Comput. Chem. 25 (10) (2004)
Karl Jug, Thomas Bredow
Models for the treatment of crystalline solids and surfaces. J. Comput. Chem. 25 (13) (2004)
Thomas Bredow, Gerald Geudtner, Karl Jug
MSINDO parameterization for third-row transition metals. J. Comput. Chem. 22 (8) (2001)
Thomas Bredow, Gerald Geudtner, Karl Jug
Development of the cyclic cluster approach for ionic systems. J. Comput. Chem. 22 (1) (2001)