Sonja Herres-Pawlis
RWTH Aachen University
262 Papers
1.6K Citations
Sonja Herres-Pawlis is an academic researcher from RWTH Aachen University. The author has contributed to research in topics: Chemistry & Lactide. The author has an hindex of 30, co-authored 227 publications. Previous affiliations of Sonja Herres-Pawlis include Technical University of Dortmund & California State University, Chico.
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Papers
Meta-Metaworkflows for Combining Quantum Chemistry and Molecular Dynamics in the MoSGrid Science Gateway
Sonja Herres-Pawlis,Alexander Hoffmann,Luis de la Garza,Jens Krüger,Sandra Gesing,Richard Grunzke,Wolfgang E. Nagel,Gabor Terstyansky,Noam Weingarten +8 more
- 03 Jun 2014
TL;DR: By adding an abstraction layer, MoSGrid is able to develop meta-metaworkflows for quantum chemical applications and a combination between quantum chemical and molecular dynamics applications.
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•Book Chapter
Granular security for a science gateway in structural bioinformatics
Sandra Gesing,Richard Grunzke,Ákos Balaskó,Georg Birkenheuer,Dirk Blunk,Sebastian Breuers,André Brinkmann,Gregor Fels,Sonja Herres-Pawlis,Péter Kacsuk,Miklos Kozlovszky,Jens Krüger,Lars Packschies,Patrick Schäfer,Bernd Schuller,Johannes Schuster,Thomas Steinke,Anna Szikszay Fabri,Martin Wewior,Ralph Müller-Pfefferkorn,Oliver Kohlbacher +20 more
- 01 Dec 2011
TL;DR: The security infrastructure presented here allows single sign-on and thus lowers the hurdle for users to utilize large HPC infrastructures for structural bioinformatics.
Room temperature stable multitalent: highly reactive and versatile copper guanidine complexes in oxygenation reactions
TL;DR: In this paper, the formation of the reactive bis(µ-oxido) dicopper(III) species and the influence of the anion are investigated by UV/Vis spectroscopy, mass spectrometry, and density functional theory.
Synthesis and Characterization of Iron(II) Thiocyanate Complexes with Derivatives of the Tris(pyridine-2-ylmethyl)amine (tmpa) Ligand †‡
Sandra Kisslinger,Harald Kelm,Sipeng Zheng,Alexander Beitat,Christian Würtele,Ramona Wortmann,Sylvestre Bonnet,Sonja Herres-Pawlis,Hans-Jörg Krüger,Siegfried Schindler +9 more
TL;DR: In this article, a series of iron(II) dithiocyanate complexes containing the tripodal ligands, analogous to the known SCO complex[Fe(tmpa)(NCS)2] were prepared and investigated.
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Dissection of Different Donor Abilities Within Bis(pyrazolyl)pyridinylmethane Transition Metal Complexes
TL;DR: In this paper, the bis(pyrazolyl)pyridinylmethane ligand α,α,α-bis(1-pyrazyll)(2-pyridine)toluene was used for bioinorganic inspired coordination chemistry studies.
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