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2020 – today
- 2024
[j23]Elodie Fernandes Lima, Thomas Bredow
:
Extended benchmark set for lattice parameters of inorganic solids. J. Comput. Chem. 45(32): 2702-2709 (2024)- 2023
- [j22]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): 1418-1425 (2023) - 2022
- [j21]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): 839-846 (2022) - 2021
- [j20]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): 1064-1072 (2021) - 2020
- [j19]Berenike Stahl, Thomas Bredow:
Critical Assessment of the DFT + U Approach for the Prediction of Vanadium Dioxide Properties. J. Comput. Chem. 41(3): 258-265 (2020)
2010 – 2019
- 2019
- [j18]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): 2364-2376 (2019) - 2018
- [j17]Anna Bronova, Thomas Bredow, Robert Glaum, Mark J. Riley, Werner Urland:
BonnMag: Computer program for ligand-field analysis of f n systems within the angular overlap model. J. Comput. Chem. 39(3): 176-186 (2018) - [j16]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): 1285-1290 (2018) - 2015
- [j15]Kim Julia Hintze, Arne Lützen, Thomas Bredow:
Structure and stability of supramolecular crown ether complexes. J. Comput. Chem. 36(19): 1467-1472 (2015) - [j14]Manuel Hochheim, Thomas Bredow:
Adsorption-induced changes of intramolecular optical transitions: PTCDA/NaCl and PTCDA/KCl. J. Comput. Chem. 36(24): 1805-1811 (2015) - 2014
- [j13]Katharina Krause, Thomas Bredow:
Conductor-like screening model for relaxed excited states: Implementation in the semiempirical method MSINDO. J. Comput. Chem. 35(7): 553-564 (2014) - [j12]Michael F. Peintinger, Thomas Bredow:
The cyclic cluster model at hartree-fock level. J. Comput. Chem. 35(11): 839-846 (2014) - 2013
- [j11]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): 451-459 (2013) - 2012
- [j10]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): 2023-2031 (2012) - [j9]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): 2102-2107 (2012) - 2011
- [j8]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): 2022-2030 (2011) - 2010
- [j7]Noel Ferro, Thomas Bredow:
Assessment of quantum-chemical methods for electronic properties and geometry of signaling biomolecules. J. Comput. Chem. 31(5): 1063-1079 (2010)
2000 – 2009
- 2009
- [j6]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): 581-588 (2009) - 2008
- [j5]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): 2295-2301 (2008) - 2004
- [j4]Nisanth N. Nair, Thomas Bredow, Karl Jug:
Molecular dynamics implementation in MSINDO: Study of silicon clusters. J. Comput. Chem. 25(10): 1255-1263 (2004) - [j3]Karl Jug, Thomas Bredow:
Models for the treatment of crystalline solids and surfaces. J. Comput. Chem. 25(13): 1551-1567 (2004) - 2001
- [j2]Thomas Bredow, Gerald Geudtner, Karl Jug:
Development of the cyclic cluster approach for ionic systems. J. Comput. Chem. 22(1): 89-101 (2001) - [j1]Thomas Bredow, Gerald Geudtner, Karl Jug:
MSINDO parameterization for third-row transition metals. J. Comput. Chem. 22(8): 861-887 (2001)
Coauthor Index
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