Beate Paulus
Orcid: 0000-0002-9834-4949
According to our database1,
Beate Paulus
authored at least 13 papers
between 2008 and 2023.
Collaborative distances:
Collaborative distances:
Timeline
Legend:
Book In proceedings Article PhD thesis Dataset OtherLinks
On csauthors.net:
Bibliography
2023
Chemical bonding of HF, HCl, and H 2 O onto YF 3 surfaces: Quantification by first principles.
J. Comput. Chem., 2023
2021
Local current analysis on defective zigzag graphene nanoribbons devices for biosensor material applications.
J. Comput. Chem., 2021
2020
A Validation of Cluster Modeling in the Description of Matrix Isolation Spectroscopy.
J. Comput. Chem., 2020
2019
Density Functional Theory Calculations of Structural, Electronic, and Magnetic Properties of the 3d Metal Trifluorides MF3 (M = Ti-Ni) in the Solid State.
J. Comput. Chem., 2019
2018
Aluminum oxo-fluoride clusters: A first principle investigation of stability, synthetic considerations, and the interaction with water.
J. Comput. Chem., 2018
2017
A computational study of samarium diiodide-induced cyclizations of <i>N</i>-oxoalkyl-substituted methyl indole-3-carboxylates - A rationale of the diastereoselectivity.
J. Comput. Chem., 2017
2016
Curvature-dependent adsorption of water inside and outside armchair carbon nanotubes.
J. Comput. Chem., 2016
ORBKIT: A modular python toolbox for cross-platform postprocessing of quantum chemical wavefunction data.
J. Comput. Chem., 2016
J. Comput. Chem., 2016
2014
J. Comput. Chem., 2014
2013
Multireference calculations for ring inversion and double bond shifting in cyclooctatetraene.
J. Comput. Chem., 2013
2011
Accurate quantum-chemical description of gold complexes with pyridine and its derivatives.
J. Comput. Chem., 2011
2008