Beate Paulus - RankMe

13 papers Journal 13

Year	Rank	Type	Title / Venue / Authors
2023	J	`jnl`	Chemical bonding of HF, HCl, and H 2 O onto YF 3 surfaces: Quantification by first principles. J. Comput. Chem. Jennifer Anders, Henrik Wiedenhaupt, Florian Kreuter, Ralf Tonner-Zech, Beate Paulus
2021	J	`jnl`	Local current analysis on defective zigzag graphene nanoribbons devices for biosensor material applications. J. Comput. Chem. Jingjing Shao, Beate Paulus, Jean Christophe Tremblay
2020	J	`jnl`	A Validation of Cluster Modeling in the Description of Matrix Isolation Spectroscopy. J. Comput. Chem. Frederik Bader, Tilen Lindic, Beate Paulus
2019	J	`jnl`	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. Stefan Mattsson, Beate Paulus
2018	J	`jnl`	Aluminum oxo-fluoride clusters: A first principle investigation of stability, synthetic considerations, and the interaction with water. J. Comput. Chem. Julia Schacht, Johannes Horst Budau, Nicola Gaston, Beate Paulus
2017	J	`jnl`	A computational study of samarium diiodide-induced cyclizations of J. Comput. Chem. Andreas J. Achazi, Dirk Andrae, Hans-Ulrich Reissig, Beate Paulus
2016	J	`jnl`	Curvature-dependent adsorption of water inside and outside armchair carbon nanotubes. J. Comput. Chem. Shulai Lei, Beate Paulus, Shujuan Li, Burkhard Schmidt
2016	J	`jnl`	ORBKIT: A modular python toolbox for cross-platform postprocessing of quantum chemical wavefunction data. J. Comput. Chem. Gunter Hermann, Vincent Pohl, Jean Christophe Tremblay, Beate Paulus, Hans-Christian Hege, Axel Schild
2016	J	`jnl`	Theoretical and experimental investigation of crown/ammonium complexes in solution. J. Comput. Chem. Andreas J. Achazi, Larissa K. S. von Krbek, Christoph A. Schalley, Beate Paulus
2014	J	`jnl`	Adsorption of multivalent alkylthiols on Au(111) surface: Insights from DFT. J. Comput. Chem. Edoardo Fertitta, Elena Voloshina, Beate Paulus
2013	J	`jnl`	Multireference calculations for ring inversion and double bond shifting in cyclooctatetraene. J. Comput. Chem. Axel Schild, Beate Paulus
2011	J	`jnl`	Accurate quantum-chemical description of gold complexes with pyridine and its derivatives. J. Comput. Chem. Doreen Mollenhauer, Johannes Flob, Hans-Ulrich Reissig, Elena Voloshina, Beate Paulus
2008	J	`jnl`	Cohesive properties of CeN and LaN from first principles. J. Comput. Chem. Elena Voloshina, Beate Paulus