Publications

Showing 1 - 191 of 191 Results

  • Herres-Pawlis, Sonja; Rittinghaus, Ruth Dorina; Tremmel, Jakub; Ruzicka, Ales; Conrads, Christian; Albrecht, Pascal; Hoffmann, Alexander; Ksiazkiewicz, Agnieszka; Pich, Andrij; Jambor, Roman
    Undiscovered potential : Ge catalysts for lactide polymerization
    In: Chemistry - a European journal, Page(s) 10 Seiten (2019)
    [DOI: 10.1002/chem.201903949]
  • Schnoor, Johann-Kilian; Fuchs, Martin; Böcking, Axel; Weßling, Matthias; Liauw, Marcel
    Homogeneous Catalyst Recycling and Separation of a Multicomponent Mixture Using Organic Solvent Nanofiltration
    In: Chemical engineering & technology, Page(s) 1-9 (2019)
    [DOI: 10.1002/ceat.201900110]
  • Mertens, M. A. Stephanie; Thomas, Fabian; Nöth, Maximilian; Moegling, Julian; El-Awaad, Islam; Sauer, Daniel Friedrich; Dhoke, Gaurao V.; Xu, Wenjing; Pich, Andrij; Herres-Pawlis, Sonja; Schwaneberg, Ulrich
    One‐pot Two‐Step Chemoenzymatic Cascade for the Synthesis of a Bis‐benzofuran Derivative
    In: European journal of organic chemistry, Volume 2019, Issue 37, Page(s) 6341-6346 (2019)
    [DOI: 10.1002/ejoc.201900904]
  • Kameke, A. v.; Kastens, S.; Rüttinger, S.; Herres-Pawlis, Sonja; Schlüter, M.
    How coherent structures dominate the residence time in a bubble wake: An experimental example
    In: Chemical engineering science, Volume 207, Page(s) 317 - 326 (2019)
    [DOI: 10.1016/j.ces.2019.06.033]
  • Schäfer, Pascal M.; Dankhoff, Katja; Rothemund, Matthias; Ksiazkiewicz, Agnieszka; Pich, Andrij; Schobert, Rainer; Weber, Birgit; Herres-Pawlis, Sonja
    Towards New Robust Zn(II) Complexes for the Ring‐Opening Polymerization of Lactide Under Industrially Relevant Conditions
    In: ChemistryOpen, Volume 8, Issue 7, Page(s) 1020 - 1026 (2019)
    [DOI: 10.1002/open.201900199]
  • Felis, Francisco; Strassl, Florian; Laurini, Larissa; Dietrich, Nicolas; Billet, Anne-Marie; Roig, Véronique; Herres-Pawlis, Sonja; Loubière, Karine
    Using a bio-inspired copper complex to investigate reactive mass transfer around an oxygen bubble rising freely in a thin-gap cell
    In: Chemical engineering science, Volume 207, Page(s) 1256 - 1269 (2019)
    [DOI: 10.1016/j.ces.2019.07.045]
  • Ghosh, Swarup; Schäfer, Pascal M.; Dittrich, Dennis; Scheiper, Christoph; Steiniger, Phillip; Fink, Gerhard Hermann-Josef Thomas; Ksiazkiewicz, Agnieszka; Tjaberings, Alexander; Wölper, Christoph; Gröschel, André H.; Pich, Andrij; Herres-Pawlis, Sonja; Schulz, Stephan
    Heterolepic β‐Ketoiminate Zinc Phenoxide Complexes as Efficient Catalysts for the Ring Opening Polymerization of Lactide
    In: ChemistryOpen : including thesis treasury, Volume 8, Issue 7, Page(s) 951-960 (2019)
    [DOI: 10.1002/open.201900203]
  • Brazeau, Sarah E. N.; Norwine, Emily E.; Hannigan, Steven F.; Orth, Nicole; Ivanović-Burmazović, Ivana; Rukser, Dieter; Biebl, Florian; Grimm-Lebsanft, Benjamin; Praedel, Gregor; Teubner, Melissa; Rübhausen, Michael; Liebhäuser, Patricia; Rösener, Thomas; Stanek, Julia; Hoffmann, Alexander; Herres-Pawlis, Sonja; Doerrer, Linda H.
    Dual oxidase/oxygenase reactivity and resonance Raman spectra of {Cu3O2} moiety with perfluoro- t -butoxide ligands
    In: Dalton transactions, Volume 48, Issue 20, Page(s) 6899-6909 (2019)
    [DOI: 10.1039/C9DT00516A]
  • Schäfer, Pascal M.; McKeown, Paul; Fuchs, Martin; Rittinghaus, Ruth Dorina; Hermann, Alina; Henkel, Johanna; Seidel, Sebastian; Roitzheim, Christoph; Ksiazkiewicz, Agnieszka; Hoffmann, Alexander; Pich, Andrij; Jones, Matthew D.; Herres-Pawlis, Sonja
    Tuning a robust system: N,O zinc guanidine catalysts for the ROP of lactide
    In: Dalton transactions, Volume 48, Issue 18, Page(s) 6071-6082 (2019)
    [DOI: 10.1039/C8DT04938F]
  • Grunzke, Richard; Hartmann, Volker; Jejkal, Thomas; Kollai, Helen; Prabhune, Ajinkya; Herold, Hendrik; Deicke, Aline; Dressler, Christiane; Dolhoff, Julia; Stanek, Julia; Hoffmann, Alexander; Müller-Pfefferkorn, Ralph; Schrade, Torsten; Meinel, Gotthard; Herres-Pawlis, Sonja; Nagel, Wolfgang E.
    The MASi repository service : Comprehensive, metadata-driven and multi-community research data management
    In: Future generation computer systems, Volume 94, Page(s) 879-894 (2018)
    [DOI: 10.1016/j.future.2017.12.023]
  • Peter, Sophia; Kaulen, Corinna; Hoffmann, Alexander; Ogieglo, Wojciech; Karthäuser, Silvia; Homberger, Melanie; Herres-Pawlis, Sonja; Simon, Ulrich
    Stepwise Growth of Ruthenium Terpyridine Complexes on Au Surfaces
    In: The journal of physical chemistry / C, Volume 123, Issue 11, Page(s) 6537-6548 (2019)
    [DOI: 10.1021/acs.jpcc.8b12039]
  • Rittinghaus, Ruth Dorina; Schäfer, Pascal M.; Albrecht, Pascal; Conrads, Christian; Hoffmann, Alexander; Ksiazkiewicz, Agnieszka; Bienemann, Olga; Pich, Andrij; Herres-Pawlis, Sonja
    New Kids in Lactide Polymerization: Highly Active and Robust Iron Guanidine Complexes as Superior Catalysts
    In: ChemSusChem, Volume 12, Issue 10, Page(s) 2161-2165 (2019)
    [DOI: 10.1002/cssc.201900481]
  • Grunzke, Richard; Hartmann, Volker; Jejkal, Thomas; Kollai, Helen; Dressler, Christiane; Dolhoff, Julia; Stanek, Julia; Herold, Hendrik; Hoffmann, Alexander; Müller-Pfefferkorn, Ralph; Schrade, Torsten; Herres-Pawlis, Sonja; Meinel, Gotthard; Nagel, Wolfgang E.
    Performance Evaluation of the Metadata-Driven MASi Research Data Management Repository Service
    In: 26th Euromicro International Conference on Parallel, Distributed, and Network-Based Processing : PDP 2018 : Cambridge, United Kingdom, 21-23 March 2018 : proceedings / edited by Ivan Merelli, Pietro Liò and Igor Kotenko (2018)
    [DOI: 10.1109/PDP2018.2018.00059]
  • Herber, Ulrich; Moegling, Julian; Siris, Rita; Hoffmann, Alexander; Mayer, Peter; Göbel, Christoph; Lochenie, Charles; Weber, Birgit; Herres-Pawlis, Sonja
    A Study on FeII, ZnII and CuII Complexes with Novel Tridentate Bis(pyrazolyl)methane Ligands
    In: Zeitschrift für anorganische und allgemeine Chemie : ZAAC = Journal of inorganic and general chemistry, Volume 644, Issue 23, Page(s) 1576-1592 (2018)
    [DOI: 10.1002/zaac.201800095]
  • Stanek, Julia; Konrad, Marc; Mannsperger, Johannes; Hoffmann, Alexander; Herres-Pawlis, Sonja
    Influence of Functionalized Substituents on the Electron-Transfer Abilities of Copper Guanidinoquinoline Complexes
    In: European journal of inorganic chemistry, Volume 2018, Issue 46, Page(s) 4997-5006 (2018)
    [DOI: 10.1002/ejic.201801078]
  • Strassl, Florian; Hoffmann, Alexander; Grimm-Lebsanft, Benjamin; Rukser, Dieter; Biebl, Florian; Tran, Mai Anh; Metz, Fabian; Rübhausen, Michael; Herres-Pawlis, Sonja
    Fluorescent Bis(guanidine) Copper Complexes as Precursors for Hydroxylation Catalysis
    In: Inorganics : open access journal, Volume 6, Issue 4, Page(s) 114 (2018)
    [DOI: 10.3390/inorganics6040114]
  • Rösener, Thomas; Kröckert, Konstantin; Hoffmann, Alexander; Herres-Pawlis, Sonja
    The Curious Case of a Phenylated Guanidinoquinoline Ligand: Synthesis, Complexes and ATRP Properties of DMEG6phqu
    In: Zeitschrift für anorganische und allgemeine Chemie : ZAAC = Journal of inorganic and general chemistry, Volume 644, Issue 21, Page(s) 1317-1328 (2018)
    [DOI: 10.1002/zaac.201800258]
  • Steiniger, Phillip; Schäfer, Pascal M.; Wölper, Christoph; Henkel, Johanna; Ksiazkiewicz, Agnieszka; Pich, Andrij; Herres-Pawlis, Sonja; Schulz, Stephan
    Synthesis, Structures, and Catalytic Activity of Homo‐ and Heteroleptic Ketoiminate Zinc Complexes in Lactide Polymerization
    In: European journal of inorganic chemistry, Volume 2018, Issue 36, Page(s) 4014-4021 (2018)
    [DOI: 10.1002/ejic.201800504]
  • Ottenwaelder, Xavier; Herres-Pawlis, Sonja
    Bioinorganic and bio-inspired chemistry of copper
    In: Inorganica chimica acta, Volume 481, Page(s) 1-200 (2018)
  • Ottenwaelder, Xavier; Herres-Pawlis, Sonja
    Bio-inorganic chemistry of copper
    In: Inorganica chimica acta, Volume 481, Page(s) 1-3 (2018)
    [DOI: 10.1016/j.ica.2018.03.005]
  • Grimm-Lebsanft, Benjamin; Brett, C.; Strassl, F.; Rukser, D.; Biednov, M.; Biebl, F.; Naumova, M.; Hoffmann, Alexander; Akinsinde, L.; Brückner, D.; Herres-Pawlis, Sonja; Rübhausen, M.
    A cryostat for low temperature resonance Raman measurements on operando oxygenated bioinorganic model complexes
    In: Inorganica chimica acta, Volume 481, Page(s) 176-180 (2017)
    [DOI: 10.1016/j.ica.2017.07.010]
  • Rösener, Thomas; Hoffmann, Alexander; Herres-Pawlis, Sonja
    Next Generation of Guanidine Quinoline Copper Complexes for Highly Controlled ATRP: Influence of Backbone Substitution on Redox Chemistry and Solubility
    In: European journal of inorganic chemistry, Volume 2018, Issue 27, Page(s) 3164-3175 (2018)
    [DOI: 10.1002/ejic.201800511]
  • Moegling, Julian; Hoffmann, Alexander; Thomas, Fabian; Orth, Nicole; Liebhäuser, Patricia; Herber, Ulrich; Rampmaier, Robert; Stanek, Julia; Fink, Gerhard; Ivanović-Burmazović, Ivana; Herres-Pawlis, Sonja
    Designed To React: Terminal Copper Nitrenes and Their Application in Catalytic C−H Aminations
    In: Angewandte Chemie / International edition, Volume 57, Issue 29, Page(s) 9154-9159 (2018)
    [DOI: 10.1002/anie.201713171]
  • Moegling, Julian; Hoffmann, Alexander; Thomas, Fabian; Orth, Nicole; Liebhäuser, Patricia; Herber, Ulrich; Rampmaier, Robert; Stanek, Julia; Fink, Gerhard; Ivanović-Burmazović, Ivana; Herres-Pawlis, Sonja
    Maßgeschneiderte terminale Kupfernitrene für katalytische C-H-Aminierungen
    In: Angewandte Chemie, Volume 130, Issue 29, Page(s) 9294-9299 (2018)
    [DOI: 10.1002/ange.201713171]
  • Moegling, Julian; Hoffmann, Alexander; Orth, Nicole; Venderbosch, Bas; Rampmeier, Robert; Ivanović-Burmazović, Ivana; Tromp, Moniek; Herres-Pawlis, Sonja
    Novel copper N-tosyl nitrenes from bis(pyrazolyl)methane ligands: Investigation of their reactivity towards catalysis
    In: ACS national meeting. - 255, Page(s) - (2018)
  • Stanek, Julia; Hoffmann, Alexander; Herres-Pawlis, Sonja
    Copper guanidinoquinoline complexes as entatic state models of electron transfer proteins
    In: ACS national meeting. - 255, Page(s) 64 (2018)
  • Rösener, Thomas; Hoffmann, Alexander; Herres-Pawlis, Sonja
    Copper guanidine quinoline complexes as catalysts in ATRP : Prediction of activities via DFT and isodesmic reactions
    In: ACS national meeting. - 255, Page(s) 680 (2018)
  • Liebhäuser, Patricia; Wilfer, Claudia; Hoffmann, Alexander; Herres-Pawlis, Sonja
    Tyrosinase model systems with efficient catalytic activity
    In: ACS national meeting. - 255, Page(s) 65 (2018)
  • Paul, Melanie; Strassl, Florian; Hoffmann, Alexander; Hoffmann, Marko; Schlüter, Michael; Herres-Pawlis, Sonja
    Reaction Systems for Bubbly Flows
    In: European journal of inorganic chemistry, Volume 2018, Issue 20-21, Page(s) 2101-2124 (2018)
    [DOI: 10.1002/ejic.201800146]
  • Zöller, Thomas; Dietz, Christina; Winter, Florian; Pöttgen, Rainer; Gorelsky, Serge I.; Hoffmann, Alexander; Herres-Pawlis, Sonja; Jurkschat, Klaus
    Rational Syntheses and Serendipity: Complexes [LSnPtCl2(SMe2)]2, [{LSnPtCl(SMe2)}2SnCl2], [(LSn)3(PtCl2)(PtClSnCl){LSn(Cl)OH}], and [O(SnCl)2(SnL)2] with L=MeN(CH2CMe2O)2
    In: Chemistry - a European journal, Volume 24, Issue 21, Page(s) 5551-5561 (2018)
    [DOI: 10.1002/chem.201703520]
  • Bouška, Marek; Tydlitát, Jiří; Jirásko, Robert; Ruzicka, Aleš; Dostál, Libor; Herres-Pawlis, Sonja; Hoffmann, Alexander; Jambor, Roman
    Reactivity of a N→Sn Coordinated Distannyne: Reduction and Hydrogen Abstraction
    In: European journal of inorganic chemistry, Volume 2018, Issue 19, Page(s) 2038-2044 (2018)
    [DOI: 10.1002/ejic.201800370]
  • Benders, Stefan; Strassl, Florian; Fenger, Bastian; Blümich, Bernhard; Herres-Pawlis, Sonja; Küppers, Markus Herbert
    Imaging of copper oxygenation reactions in a bubble flow
    In: Magnetic resonance in chemistry, Volume 56, Issue 9, Page(s) 826-830 (2018)
    [DOI: 10.1002/mrc.4742]
  • Stanek, Julia; Hoffmann, Alexander; Herres-Pawlis, Sonja
    Renaissance of the entatic state principle
    In: Coordination chemistry reviews, Volume 365, Page(s) 103-121 (2018)
    [DOI: 10.1016/j.ccr.2018.03.009]
  • Gesing, Sandra; Dooley, Rion; Pierce, Marlon; Krüger, Jens; Grunzke, Richard; Herres-Pawlis, Sonja; Hoffmann, Alexander
    Gathering requirements for advancing simulations in HPC infrastructures via science gateways
    In: Future generation computer systems, Volume 82, Page(s) 544-554 (2017)
    [DOI: 10.1016/j.future.2017.02.042]
  • Dicke, B.; Hoffmann, Alexander; Stanek, Julia; Rampp, M. S.; Grimm-Lebsanft, B.; Biebl, F.; Rukser, D.; Maerz, B.; Göries, D.; Naumova, M.; Biednov, M.; Neuber, G.; Wetzel, A.; Hofmann, S. M.; Roedig, P.; Meents, A.; Bielecki, J.; Andreasson, J.; Beyerlein, K. R.; Chapman, H. N.; Bressler, C.; Zinth, W.; Rübhausen, M.; Herres-Pawlis, Sonja
    Transferring the entatic-state principle to copper photochemistry
    In: Nature chemistry, Volume 10, Issue 3, Page(s) 355-362 (2018)
    [DOI: 10.1038/nchem.2916]
  • Hoffmann, Alexander; Herres-Pawlis, Sonja
    Theoretical Studies on Tyrosinase Models
    In: Encyclopedia of inorganic and bioinorganic chemistry / Robert A. Scott (ed.), Page(s) 1-15 (2017)
    [DOI: 10.1002/9781119951438.eibc2249]
  • Metz, Angela; Heck, Joshua; Gohlke, Clara; Kröckert, Konstantin; Louven, Yannik; McKeown, Paul; Hoffmann, Alexander; Jones, Matthew D.; Herres-Pawlis, Sonja
    Reactivity of Zinc Halide Complexes Containing Camphor-Derived Guanidine Ligands with Technical rac-Lactide
    In: Inorganics : open access journal, Volume 5, Issue 4, Page(s) 85 (2017)
    [DOI: 10.3390/inorganics5040085]
  • Metz, Angela; McKeown, Paul; Esser, Bastian; Gohlke, Clara; Kröckert, Konstantin; Laurini, Larissa; Scheckenbach, Michael; McCormick, Strachan N.; Oswald, Michaela; Hoffmann, Alexander; Jones, Matthew D.; Herres-Pawlis, Sonja
    ZnII Chlorido Complexes with Aliphatic, Chiral Bisguanidine Ligands as Catalysts in the Ring-Opening Polymerisation of rac-Lactide Using FT-IR Spectroscopy in Bulk
    In: European journal of inorganic chemistry, Volume 2017, Issue 47, Page(s) 5557-5570 (2017)
    [DOI: 10.1002/ejic.201701147]
  • Stanek, Julia; Sackers, Nina; Fink, Fabian; Paul, Melanie; Peters, Laurens; Grunzke, Richard; Hoffmann, Alexander; Herres-Pawlis, Sonja
    Copper Guanidinoquinoline Complexes as Entatic State Models of Electron-Transfer Proteins
    In: Chemistry - a European journal, Volume 23, Issue 62, Page(s) 15738-15745 (2017)
    [DOI: 10.1002/chem.201703261]
  • Witte, Matthias; Herres-Pawlis, Sonja
    Relativistic effects at the Cu2O2 core - a density functional theory study
    In: Physical chemistry, chemical physics : PCCP, Volume 19, Issue 39, Page(s) 26880-26889 (2017)
    [DOI: 10.1039/C7CP04686C]
  • Schäfer, Pascal M.; Fuchs, Martin; Ohligschläger, Andreas; Rittinghaus, Ruth; McKeown, Paul; Akin, Enver; Schmidt, Maximilian; Hoffmann, Alexander; Liauw, Marcel; Jones, Matthew D.; Herres-Pawlis, Sonja
    Highly Active N,O Zinc Guanidine Catalysts for the Ring-Opening Polymerization of Lactide
    In: ChemSusChem : chemistry & sustainability, energy & materials, Volume 10, Issue 18, Page(s) 3547-3556 (2017)
    [DOI: 10.1002/cssc.201701237]
  • Liebhäuser, Patricia; Keisers, Kristina; Hoffmann, Alexander; Schnappinger, Thomas; Sommer, Isabella; Thoma, Anne; Wilfer, Claudia; Schoch, Roland; Stührenberg, Kai; Bauer, Matthias; Dürr, Maximilian; Ivanović-Burmazović, Ivana; Herres-Pawlis, Sonja
    Record Broken: A Copper Peroxide Complex with Enhanced Stability and Faster Hydroxylation Catalysis
    In: Chemistry - a European journal, Volume 23, Issue 50, Page(s) 12171-12183 (2017)
    [DOI: 10.1002/chem.201700887]
  • Schlüter, Michael; Billet, Anne-Marie; Herres-Pawlis, Sonja
    Editorial: Reactive Bubbly Flows
    In: Chemical engineering & technology, Volume 40, Issue 8, Page(s) 1384-1384 (2017)
    [DOI: 10.1002/ceat.201770085]
  • Schlüter, Michael; Billet, Anne-Marie; Herres-Pawlis, Sonja
    Special Issue: Reactive Bubbly Flows
    In: Chemical engineering & technology, Volume 40, Issue 8, Page(s) 1379-1528 (2017)
  • Oppermann, Alexander; Laurini, Larissa; Etscheidt, Fabian; Hollmann, Katharina; Strassl, Florian; Hoffmann, Alexander; Schurr, Daniela; Dittmeyer, Roland; Rinke, Günter; Herres-Pawlis, Sonja
    Detection of Copper Bisguanidine NO Adducts by UV-vis Spectroscopy and a SuperFocus Mixer
    In: Chemical engineering & technology, Volume 40, Issue 8, Page(s) 1475-1483 (2017)
    [DOI: 10.1002/ceat.201600691]
  • Kastens, Sven; Timmermann, Jens; Strassl, Florian; Rampmaier, Robert F.; Hoffmann, Alexander; Herres-Pawlis, Sonja; Schlüter, Michael
    Test System for the Investigation of Reactive Taylor Bubbles
    In: Chemical engineering & technology, Volume 40, Issue 8, Page(s) 1494-1501 (2017)
    [DOI: 10.1002/ceat.201700047]
  • Hannigan, Steven F.; Arnoff, Amanda I.; Neville, Sarah E.; Lum, June S.; Golen, James A.; Rheingold, Arnold L.; Orth, Nicole; Ivanović-Burmazović, Ivana; Liebhäuser, Patricia; Rösener, Thomas; Stanek, Julia; Hoffmann, Alexander; Herres-Pawlis, Sonja; Doerrer, Linda H.
    On the Way to a Trisanionic {Cu3O2} Core for Oxidase Catalysis: Evidence of an Asymmetric Trinuclear Precursor Stabilized by Perfluoropinacolate Ligands
    In: Chemistry - a European journal, Volume 23, Issue 34, Page(s) 8212-8224 (2017)
    [DOI: 10.1002/chem.201605926]
  • Strassl, Florian; Grimm-Lebsanft, Benjamin; Rukser, Dieter; Biebl, Florian; Biednov, Mykola; Brett, Calvin; Timmermann, Riccardo; Metz, Fabian; Hoffmann, Alexander; Rübhausen, Michael; Herres-Pawlis, Sonja
    Oxygen Activation by Copper Complexes with an Aromatic Bis(guanidine) Ligand
    In: European journal of inorganic chemistry, Volume 2017, Issue 27, Page(s) 3350-3359 (2017)
    [DOI: 10.1002/ejic.201700528]
  • Witte, Matthias; Rohrmüller, Martin; Gerstmann, Uwe; Henkel, Gerald; Schmidt, Wolf Gero; Herres-Pawlis, Sonja
    [Cu6(NGuaS)6]2+ and its oxidized and reduced derivatives: Confining electrons on a torus
    In: Journal of computational chemistry, Volume 38, Issue 20, Page(s) 1752-1761 (2017)
    [DOI: 10.1002/jcc.24798]
  • Herber, Ulrich; Hegner, Katharina; Wolters, Daniel; Siris, Rita; Wrobel, Karina; Hoffmann, Alexander; Lochenie, Charles; Weber, Birgit; Kuckling, Dirk; Herres-Pawlis, Sonja
    Iron(II) and Zinc(II) Complexes with Tetradentate Bis(pyrazolyl)methane Ligands as Catalysts for the Ring-Opening Polymerisation of rac-Lactide
    In: European journal of inorganic chemistry, Volume 2017, Issue 10, Page(s) 1341-1354 (2017)
    [DOI: 10.1002/ejic.201601345]
  • Kuckling, Dirk; Zukowski, Mariola; Rösener, Thomas; Herres-Pawlis, Sonja
    Atmospheric pressure photo-ionization mass spectrometry for the detection of labile end groups in poly(styrene)
    In: European polymer journal : EPJ, Volume 90, Page(s) 209-219 (2017)
    [DOI: 10.1016/j.eurpolymj.2017.03.013]
  • Hollmann, Katharina; Oppermann, Alexander; Witte, Matthias; Li, Sun; Amen, Maike; Flörke, Ulrich; Egold, Hans; Henkel, Gerald; Herres-Pawlis, Sonja
    Copper(I) Complexes with Thiourea Derivatives as Ligands: Revealing Secrets of Their Bonding Scheme
    In: European journal of inorganic chemistry, Volume 2017, Issue 9, Page(s) 1266-1279 (2017)
    [DOI: 10.1002/ejic.201601547]
  • Oppermann, Alexander; Wehrhahn, Christoph; Flörke, Ulrich; Herres-Pawlis, Sonja; Henkel, Gerald
    Direct Electrochemical Synthesis of an Unusual Complex Salt: Almost Structural Identity - Different Charge
    In: Zeitschrift für anorganische und allgemeine Chemie, Volume 643, Issue 3, Page(s) 266-275 (2017)
    [DOI: 10.1002/zaac.201600408]
  • Moegling, Julian; Hoffmann, Alexander; Herres-Pawlis, Sonja
    Insights into Copper-Poly(pyrazolyl)methane-Catalyzed Reactions for Organic Transformations
    In: Synthesis, Volume 49, Issue 02, Page(s) 225-236 (2016)
    [DOI: 10.1055/s-0036-1588892]
  • Grunzke, Richard; Krüger, Jens; Jäkel, René; Nagel, Wolfgang E.; Herres-Pawlis, Sonja; Hoffmann, Alexander
    Metadata Management in the MoSGrid Science Gateway - Evaluation and the Expansion of Quantum Chemistry Support
    In: Journal of grid computing, Volume 15, Issue 1, Page(s) 41-53 (2016)
    [DOI: 10.1007/s10723-016-9362-2]
  • Liebhäuser, Patricia; Hoffmann, Alexander; Herres-Pawlis, Sonja
    Tyrosinase Models : Synthesis, Spectroscopy, Theory, and Catalysis
    In: Reference Module in Chemistry, Molecular Sciences and Chemical Engineering (2016)
    [DOI: 10.1016/B978-0-12-409547-2.11554-9]
  • Hoffmann, Alexander; Herres-Pawlis, Sonja
    Sepia, Sonnenbräune und Stromkabel : Kupfer ist überall!
    In: Aktuelle Wochenschau, Volume 2016, Issue Woche 9, Page(s) 3 Seiten (2016)
  • Gesing, Sandra; Krüger, Jens; Grunzke, Richard; Herres-Pawlis, Sonja; Hoffmann, Alexander
    Using Science Gateways for Bridging the Differences between Research Infrastructures
    In: Journal of grid computing, Volume 14, Issue 4, Page(s) 545-557 (2016)
    [DOI: 10.1007/s10723-016-9385-8]
  • Vollmers, Nora Jenny; Müller, Patrick; Hoffmann, Alexander; Herres-Pawlis, Sonja; Rohrmüller, Martin; Schmidt, Wolf Gero; Gerstmann, Uwe; Bauer, Matthias
    Experimental and Theoretical High-Energy-Resolution X-ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State
    In: Inorganic chemistry, Volume 55, Issue 22, Page(s) 11694-11706 (2016)
    [DOI: 10.1021/acs.inorgchem.6b01704]
  • Wetzel, A.; Biebl, F.; Beyerlein, K. R.; Stanek, Julia; Gumprecht, L.; Hoffmann, Alexander; Herres-Pawlis, Sonja; Bajt, S.; Chapman, H. N.; Grimm-Lebsanft, B.; Rukser, D.; Rübhausen, M.
    Jet delivery system for Raman scattering on bio-inorganic compounds
    In: Applied physics letters, Volume 109, Issue 21, Page(s) 213502 (2016)
    [DOI: 10.1063/1.4967476]
  • Arshad, Junaid; Hoffmann, Alexander; Gesing, Sandra; Grunzke, Richard; Krüger, Jens; Kiss, Tamas; Herres-Pawlis, Sonja; Terstyanszky, Gabor
    Multi-level meta-workflows: new concept for regularly occurring tasks in quantum chemistry
    In: Journal of cheminformatics, Volume 8, Issue 1, Page(s) 58 (2016)
    [DOI: 10.1186/s13321-016-0169-8]
  • Hejda, Martin; Lyčka, Antonín; Mikysek, Tomáš; Jambor, Roman; Růžička, Aleš; Vinklárek, Jaromír; Wilfer, Claudia; Hoffmann, Alexander; Herres-Pawlis, Sonja; Dostál, Libor
    Homolytic, Heterolytic, Mesolytic - As You Like It: Steering the Cleavage of a HC(sp 3 )−C(sp 3 )H Bond in Bis(1 H -2,1-benzazaborole) Derivatives
    In: Chemistry - a European journal, Volume 22, Issue 43, Page(s) 15340-15349 (2016)
    [DOI: 10.1002/chem.201602698]
  • Metz, Angela; Hoffmann, Alexander; Hock, Kristina; Herres-Pawlis, Sonja
    Katalysatoren für die Produktion von Biokunststoffen : Von Mais und Zuckerrohr zum Joghurtbecher
    In: Chemie in unserer Zeit, Volume 50, Issue 5, Page(s) 316-325 (2016)
    [DOI: 10.1002/ciuz.201600691]
  • Metz, Angela; Plothe, Ramona; Glowacki, Britta; Koszalkowski, Andreas; Scheckenbach, Michael; Beringer, Andreas; Rösener, Thomas; Michaelis de Vasconcellos, Janna; Haase, Roxana; Flörke, Ulrich; Hoffmann, Alexander; Herres-Pawlis, Sonja
    Zinc Chloride Complexes with Aliphatic and Aromatic Guanidine Hybrid Ligands and Their Activity in the Ring-Opening Polymerisation of d,l-Lactide
    In: European journal of inorganic chemistry, Volume 2016, Issue 31, Page(s) 4974-4987 (2016)
    [DOI: 10.1002/ejic.201600870]
  • Hoffmann, Alexander; Wern, Miriam; Hoppe, Tobias; Witte, Matthias; Haase, Roxana; Liebhäuser, Patricia; Glatthaar, Jörg; Herres-Pawlis, Sonja; Schindler, Siegfried
    Hand in Hand: Experimental and Theoretical Investigations into the Reactions of Copper(I) Mono- and Bis(guanidine) Complexes with Dioxygen
    In: European journal of inorganic chemistry, Volume 2016, Issue 29, Page(s) 4744-4751 (2016)
    [DOI: 10.1002/ejic.201600906]
  • Hoffmann, Alexander; Stanek, Julia; Dicke, Benjamin; Peters, Laurens; Grimm-Lebsanft, Benjamin; Wetzel, Alina; Jesser, Anton; Bauer, Matthias; Gnida, Manuel; Meyer-Klaucke, Wolfram; Rübhausen, Michael; Herres-Pawlis, Sonja
    Implications of Guanidine Substitution on Copper Complexes as Entatic-State Models
    In: European journal of inorganic chemistry : EurJIC, Volume 2016, Issue 29, Page(s) 4731-4743 (2016)
    [DOI: 10.1002/ejic.201600655]
  • Schurr, Daniela; Strassl, Florian; Liebhäuser, Patricia; Rinke, Günter; Dittmeyer, Roland; Herres-Pawlis, Sonja
    Decay kinetics of sensitive bioinorganic species in a SuperFocus mixer at ambient conditions
    In: Reaction chemistry & engineering, Volume 1, Issue 5, Page(s) 485-493 (2016)
    [DOI: 10.1039/C6RE00119J]
  • Rösener, Thomas; Bienemann, Olga; Sigl, Kerstin; Schopp, Nora; Schnitter, Fabian; Flörke, Ulrich; Hoffmann, Alexander; Döring, Artjom; Kuckling, Dirk; Herres-Pawlis, Sonja
    A Comprehensive Study of Copper Guanidine Quinoline Complexes: Predicting the Activity of Catalysts in ATRP with DFT
    In: Chemistry - a European journal, Volume 22, Issue 38, Page(s) 13550-13562 (2016)
    [DOI: 10.1002/chem.201602223]
  • Oppermann, Alexander; Dick, Regina; Wehrhahn, Christoph; Flörke, Ulrich; Herres-Pawlis, Sonja; Henkel, Gerald
    Copper(I) Thiolate Heteroadamantane Cage Structures with Relevance to Metalloproteins
    In: European journal of inorganic chemistry, Volume 2016, Issue 23, Page(s) 3744-3755 (2016)
    [DOI: 10.1002/ejic.201600247]
  • Witte, Matthias; Grimm-Lebsanft, Benjamin; Goos, Arne; Binder, Stephan; Rübhausen, Michael; Bernard, Martin; Neuba, Adam; Gorelsky, Serge; Gerstmann, Uwe; Henkel, Gerald; Gero Schmidt, Wolf; Herres-Pawlis, Sonja
    Optical response of the Cu 2 S 2 diamond core in Cu2II(NGuaS) 2 Cl 2
    In: Journal of computational chemistry, Volume 37, Issue 24, Page(s) 2181-2192 (2016)
    [DOI: 10.1002/jcc.24439]
  • Hollmann, Katharina; Oppermann, Alexander; Amen, Maike; Flörke, Ulrich; Egold, Hans; Hoffmann, Alexander; Herres-Pawlis, Sonja; Henkel, Gerald
    Addressing Hydrogen Bonding Motifs by Suited Substitution of Thioureas
    In: Zeitschrift für anorganische und allgemeine Chemie, Volume 642, Issue 9/10, Page(s) 660-669 (2016)
    [DOI: 10.1002/zaac.201600126]
  • Hoffmann, Alexander; Herres-Pawlis, Sonja
    Donor-driven conformational flexibility in a real-life catalytic dicopper(II) peroxo complex
    In: Physical chemistry, chemical physics : PCCP, Volume 18, Issue 9, Page(s) 6430-6440 (2015)
    [DOI: 10.1039/C5CP05009J]
  • Glöge, Thomas; Aal, Frooke; Filimon, Sabina-Alexandra; Jones, Peter G.; Michaelis de Vasconcellos, Janna; Herres-Pawlis, Sonja; Tamm, Matthias
    Erratum: Transition Metal Complexes Containing C2‐Symmetric Bis‐(imidazolin‐2‐imine) Ligands Derived from a 1‐Alkyl‐3‐arylimidazolin‐2‐ylidene
    In: Zeitschrift für anorganische und allgemeine Chemie, Volume 641, Issue 14, Page(s) 2369-2369 (2015)
    [DOI: 10.1002/zaac.201510006]
  • Stanek, Julia; Rösener, Thomas; Metz, Angela; Mannsperger, Johannes; Hoffmann, Alexander; Herres-Pawlis, Sonja
    Guanidine Metal Complexes for Bioinorganic Chemistry and Polymerisation Catalysis
    In: Topics in heterocyclic chemistry, Volume 39, Page(s) 95-164 (2015)
    [DOI: 10.1007/7081_2015_173]
  • Gesing, Sandra; Dooley, Rion; Pierce, Marlon; Kruger, Jens; Grunzke, Richard; Herres-Pawlis, Sonja; Hoffmann, Alexander
    Science gateways : leveraging modeling and simulations in HPC infrastructures via increased usability
    In: 2015 International Conference on High Performance Computing & Simulation (HPCS 2015) : Amsterdam, Netherlands, 20 - 24 July 2015 : [13th annual meeting] / [in technical cooperation with the ACM; IEEE ... Ed.: Waleed W. Smari], Page(s) 19-26 (2015)
    [DOI: 10.1109/HPCSim.2015.7237017]
  • Grunzke, Richard; Krüger, Jens; Gesing, Sandra; Herres-Pawlis, Sonja; Hoffmann, Alexander; Aguilera, Alvaro; Nagel, Wolfgang E.
    Managing Complexity in Distributed Data Life Cycles Enhancing Scientific Discovery
    In: [Proceedings, 11th IEEE International Conference on eScience : 31 August-4 September 2015, Munich, Germany] (2015)
    [DOI: 10.1109/eScience.2015.72]
  • Moegling, Julian; Benischke, Andreas D.; Hammann, Jeffrey M.; Vepřek, Nynke A.; Zoller, Florian; Rendenbach, Bettina; Hoffmann, Alexander; Sievers, Holger; Schuster, Michael; Knochel, Paul; Herres-Pawlis, Sonja
    Bis(pyrazolyl)methane Copper Complexes as Robust and Efficient Catalysts for Sonogashira Couplings
    In: European journal of organic chemistry, Volume 2015, Issue 34, Page(s) 7475-7483 (2015)
    [DOI: 10.1002/ejoc.201501117]
  • Herres-Pawlis, Sonja; Haase, Roxana; Verma, Pratik; Hoffmann, Alexander; Kang, Peng; Stack, T. Daniel P.
    Formation of Hybrid Guanidine-Stabilized Bis(μ-oxo)dicopper Cores in Solution : electronic and Steric Perturbations
    In: European journal of inorganic chemistry, Volume 2015, Issue 32, Page(s) 5426-5436 (2015)
    [DOI: 10.1002/ejic.201500884]
  • Wilfer, Claudia; Liebhäuser, Patricia; Hoffmann, Alexander; Erdmann, Hannes; Grossmann, Oleg; Runtsch, Leander; Paffenholz, Eva; Schepper, Rahel; Dick, Regina; Bauer, Matthias; Dürr, Maximilian; Ivanović-Burmazović, Ivana; Herres-Pawlis, Sonja
    Efficient Biomimetic Hydroxylation Catalysis with a Bis(pyrazolyl)imidazolylmethane Copper Peroxide Complex
    In: Chemistry - a European journal, Volume 21, Issue 49, Page(s) 17639-17649 (2015)
    [DOI: 10.1002/chem.201501685]
  • Glöge, Thomas; Aal, Frouke; Filimon, Sabina-Alexandra; Jones, Peter G.; Michaelis de Vasconcellos, Janna; Herres-Pawlis, Sonja; Tamm, Matthias
    Transition Metal Complexes Containing C 2 -Symmetric Bis(imidazolin-2-imine) Ligands Derived from a 1-Alkyl-3-arylimidazolin-2-ylidene
    In: Zeitschrift für anorganische und allgemeine Chemie, Volume 641, Issue 12-/13, Page(s) 2204-2214 (2015)
    [DOI: 10.1002/zaac.201500569]
  • Döring, Artjom; Flörke, Ulrich; Hoffmann, Alexander; Jones, Matthew D.; Kuckling, Dirk; Michaelis de Vasconcellos, Janna; Herres-Pawlis, Sonja
    Zinc Complexes with Guanidine-Pyridine Hybrid Ligands : anion Effect and Catalytic Activity
    In: Zeitschrift für anorganische und allgemeine Chemie, Volume 641, Issue 12/13, Page(s) 2147-2156 (2015)
    [DOI: 10.1002/zaac.201500538]
  • Herres-Pawlis, Sonja; Hoffmann, Alexander; Rösener, Thomas; Krüger, Jens; Grunzke, Richard; Gesing, Sandra
    Multi-layer Meta-metaworkflows for the Evaluation of Solvent and Dispersion Effects in Transition Metal Systems Using the MoSGrid Science Gateways
    In: 2015 7th International Workshop on Science Gateways : [Proceedings], Page(s) 47-52 (2015)
    [DOI: 10.1109/IWSG.2015.13]
  • Gesing, Sandra; Grunzke, Richard; Krüger, Jens; Herres-Pawlis, Sonja; Hoffmann, Alexander
    Challenges and Modifications for Creating a MoSGrid Science Gateway for US and European Infrastructures
    In: 2015 7th International Workshop on Science Gateways (IWSG 2015) : Budapest, Hungary, 3-5 June 2015 / sponsored by Centre for Research Computing, University of Notre Dame; Euro One; MTA SZTAKI; LPDS; cloudSME ; technically cosponsored by IEEE Technical Committee on Scalable Computing, Technical Area on Science Gateways, Page(s) 73-79 (2015)
    [DOI: 10.1109/IWSG.2015.10]
  • Herres-Pawlis, Sonja; Hoffmann, Alexander; Balaskó, Ákos; Kacsuk, Peter; Birkenheuer, Georg; Brinkmann, André; de la Garza, Luis; Krüger, Jens; Gesing, Sandra; Grunzke, Richard; Terstyansky, Gabor; Weingarten, Noam
    Quantum chemical meta-workflows in MoSGrid
    In: Concurrency and computation, Volume 27, Issue 2, Page(s) 344-357 (2015)
    [DOI: 10.1002/cpe.3292]
  • Citek, Cooper; Herres-Pawlis, Sonja; Stack, T. Daniel P.
    Low Temperature Syntheses and Reactivity of Cu2O2 Active-Site Models
    In: Accounts of chemical research, Volume 48, Issue 8, Page(s) 2424-2433 (2015)
    [DOI: 10.1021/acs.accounts.5b00220]
  • Novák, Miroslav; Bouska, Marek; Dostál, Libor; Ruzicka, Ales; Hoffmann, Alexander; Herres-Pawlis, Sonja; Jambor, Roman
    Less Is More : Three-Coordinate C,N-Chelated Distannynes and Digermynes
    In: Chemistry - a European journal, Volume 21, Issue 21, Page(s) 7820-7829 (2015)
    [DOI: 10.1002/chem.201500695]
  • Rohrmüller, Martin; Hoffmann, Alexander; Thierfelder, Christian; Herres-Pawlis, Sonja; Schmidt, Wolf Gero
    The Cu 2 O 2 torture track for a real-life system : [Cu 2 (btmgp) 2 O 2 ] 2+ oxo and peroxo species in density functional calculations †
    In: Journal of computational chemistry, Volume 36, Issue 22, Page(s) 1672-1685 (2015)
    [DOI: 10.1002/jcc.23983]
  • Wilfer, Claudia; Liebhäuser, Patricia; Erdmann, Hannes; Hoffmann, Alexander; Herres-Pawlis, Sonja
    Biomimetic Hydroxylation Catalysis Through Self-Assembly of a Bis(pyrazolyl)methane Copper-Peroxo Complex
    In: European journal of inorganic chemistry, Volume 2015, Issue 3, Page(s) 494-502 (2015)
    [DOI: 10.1002/ejic.201402957]
  • Gay-Lussac-Humboldt-Preis: W. Kunz / Clara-Immerwahr-Preis: A. Company / Forschungspreis der Peter-und-Traudl-Engelhorn-Stiftung: S. van de Linde 4787 / Preise der Bayerischen Akademie der Wissenschaften: S. Herres-Pawlis und S. M. Huber
    In: Angewandte Chemie, Volume 127, Issue 16, Page(s) 4787 - 4787 (2015)
    [DOI: 10.1002/ange.201502092]
  • Hoffmann, Alexander; Rohrmüller, Martin; Jesser, Anton; Vieira, Ines dos Santos; Schmidt, Wolf Gero; Herres-Pawlis, Sonja
    Corrigendum: Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes : Insights from TD-DFT and many-body perturbation theory (Part II)
    In: Journal of computational chemistry, Volume 36, Issue 4, Page(s) 272-272 (2014)
    [DOI: 10.1002/jcc.23793]
  • Vránová, Iva; Jambor, Roman; Růžička, Aleš; Hoffmann, Alexander; Herres-Pawlis, Sonja; Dostál, Libor
    Antimony( iii ) and bismuth( iii ) amides containing pendant N-donor groups : a combined experimental and theoretical study
    In: Dalton transactions, Volume 44, Issue 1, Page(s) 395-400 (2015)
    [DOI: 10.1039/C4DT02692F]
  • Herres-Pawlis, Sonja; Hoffmann, Alexander; de la Garza, Luis; Krüger, Jens; Gesing, Sandra; Grunzke, Richard; Nagel, Wolfgang E.; Terstyansky, Gabor; Weingarten, Noam
    Meta-Metaworkflows for Combining Quantum Chemistry and Molecular Dynamics in the MoSGrid Science Gateway
    In: 2014 6th International Workshop on Science Gateways (IWSG 2014) : Dublin, Ireland, 3-5 June 2014 / IEEE, Page(s) 73-78 (2014)
    [DOI: 10.1109/IWSG.2014.20]
  • Hoffmann, Alexander; Herres-Pawlis, Sonja
    Hiking on the potential energy surface of a functional tyrosinase model : implications of singlet, broken-symmetry and triplet description
    In: Chemical communications, Volume 50, Issue 4, Page(s) 403-405 (2013)
    [DOI: 10.1039/C3CC46893C]
  • Herres-Pawlis, Sonja; Hoffmann, Alexander; de la Garza, Luis; Kruger, Jens; Grunzke, Richard
    Expansion of Quantum Chemical Metadata for Workflows in the MoSGrid Science Gateway
    In: 2014 6th International Workshop on Science Gateways (IWSG 2014) : Dublin, Ireland, 3-5 June 2014 / IEEE, Page(s) 67-72 (2014)
    [DOI: 10.1109/IWSG.2014.18]
  • Krüger, Jens; Grunzke, Richard; Herres-Pawlis, Sonja; Hoffmann, Alexander; de la Garza, Luis; Kohlbacher, Oliver; Nagel, Wolfgang E.; Gesing, Sandra
    Performance Studies on Distributed Virtual Screening
    In: BioMed research international, Volume 2014, Page(s) 624024 (2014)
    [DOI: 10.1155/2014/624024]
  • Hoffmann, Alexander; Bienemann, Olga; Vieira, Ines dos Santos; Herres-Pawlis, Sonja
    New Guanidine-Pyridine Copper Complexes and their Application in ATRP
    In: Polymers, Volume 6, Issue 4, Page(s) 995-1007 (2014)
    [DOI: 10.3390/polym6040995]
  • Grunzke, Richard; Breuers, Sebastian; Gesing, Sandra; Herres-Pawlis, Sonja; Kruse, Martin; Blunk, Dirk; de la Garza, Luis; Packschies, Lars; Schäfer, Patrick; Schärfe, Charlotta; Schlemmer, Tobias; Steinke, Thomas; Schuller, Bernd; Müller-Pfefferkorn, Ralph; Jäkel, René; Nagel, Wolfgang E.; Atkinson, Malcolm; Krüger, Jens
    Standards-based metadata management for molecular simulations
    In: Concurrency and computation, Volume 26, Issue 10, Page(s) 1744-1759 (2014)
    [DOI: 10.1002/cpe.3116]
  • Kruger, Jens; Grunzke, Richard; Gesing, Sandra; Breuers, Sebastian; Brinkmann, Andre; de la Garza, Luis; Kohlbacher, Oliver; Kruse, Martin; Nagel, Wolfgang E.; Packschies, Lars; Muller-Pfefferkorn, Ralph; Schafer, Patrick; Scharfe, Charlotta; Steinke, Thomas; Schlemmer, Tobias; Warzecha, Klaus Dieter; Zink, Andreas; Herres-Pawlis, Sonja
    The MoSGrid Science Gateway : A Complete Solution for Molecular Simulations
    In: Journal of chemical theory and computation, Volume 10, Issue 6, Page(s) 2232-2245 (2014)
    [DOI: 10.1021/ct500159h]
  • Hoffmann, Alexander; Flörke, Ulrich; Herres-Pawlis, Sonja
    Insights into Different Donor Abilities in Bis(pyrazolyl)pyridinylmethane Transition Metal Complexes
    In: European journal of inorganic chemistry, Volume 2014, Issue 13, Page(s) 2296-2306 (2014)
    [DOI: 10.1002/ejic.201400056]
  • Hoffmann, Alexander; Bienemann, Olga; Vieira, Ines dos Santos; Herres-Pawlis, Sonja
    Neue aromatische Bisguanidin-Kupfer-Komplexe und ihre Anwendung in der ATRP
    In: Zeitschrift für Naturforschung / B, Volume 69, Issue 5, Page(s) 589-595 (2014)
    [DOI: 10.5560/znb.2014-4019]
  • Herber, Ulrich; Hoffmann, Alexander; Lochenie, Charles; Weber, Birgit; Herres-Pawlis, Sonja
    N-Donor Competition in Iron Bis(chelate) Bis(pyrazolyl)pyridinylmethane Complexes
    In: Zeitschrift für Naturforschung / B, Volume 69, Issue 11-12, Page(s) 1206-1214 (2014)
    [DOI: 10.5560/znb.2014-4176]
  • Krabbe, Stefan; Wagner, Michael; Löw, Christian; Dietz, Christina; Schurmann, Markus; Hoffmann, Alexander; Herres-Pawlis, Sonja; Lutter, Michael; Jurkschat, Klaus
    Syntheses and Molecular Structures of [RSn{W(CO)3Cp}2][W(CO)3Cp], [RSn{W(CO)3Cp}Cl2], and [RSn{W(CO)3Cp}Cr(CO)5] (R = [4-t-Bu-2,6-{P(O)(OR′)2}2C6H2], R′ = Et, i-Pr) : Autoionization Induced by Intramolecular P═O-->Sn Coordination
    In: Organometallics, Volume 33, Issue 17, Page(s) 4433-4441 (2014)
    [DOI: 10.1021/om500649d]
  • Krabbe, Stefan; Wagner, Michael; Löw, Christian; Dietz, Christina; Schürmann, Markus; Hoffmann, Alexander; Herres-Pawlis, Sonja; Lutter, Michael; Jurkschat, Klaus
    Syntheses and Molecular Structures of [RSn{W(CO)3Cp}2][W(CO)3Cp], [RSn{W(CO)3Cp}Cl2], and [RSn{W(CO)3Cp}Cr(CO)5] (R = [4-t-Bu-2,6-{P(O)(OR')2}2C6H2], R′ = Et, i-Pr) : Autoionization Induced by Intramolecular P═O->Sn Coordination
    In: Organometallics, Volume 33, Issue 17, Page(s) 4433-4441 (2014)
    [DOI: 10.1021/om500649d]
  • Hoffmann, Alexander; Binder, Stephan; Jesser, Anton; Haase, Roxana; Flörke, Ulrich; Gnida, Manuel; Salomone Stagni, Marco; Meyer-Klaucke, Wolfram; Lebsanft, Benjamin; Grünig, Lara Elena; Schneider, Simon; Hashemi, Maryam; Goos, Arne; Wetzel, Alina; Rübhausen, Michael; Herres-Pawlis, Sonja
    Den entatischen Zustand im Griff : ein Duo von Kupfer-Komplexen
    In: Angewandte Chemie, Volume 126, Issue 1, Page(s) 305-310 (2013)
    [DOI: 10.1002/ange.201306061]
  • Hoffmann, Alexander; Binder, Stephan; Jesser, Anton; Haase, Roxana; Flörke, Ulrich; Gnida, Manuel; Salomone Stagni, Marco; Meyer-Klaucke, Wolfram; Lebsanft, Benjamin; Grünig, Lara Elena; Schneider, Simon; Hashemi, Maryam; Goos, Arne; Wetzel, Alina; Rübhausen, Michael; Herres-Pawlis, Sonja
    Catching an Entatic State-A Pair of Copper Complexes
    In: Angewandte Chemie / International edition, Volume 53, Issue 1, Page(s) 299-304 (2013)
    [DOI: 10.1002/anie.201306061]
  • Jesser, Anton; Rohrmüller, Martin; Schmidt, Wolf Gero; Herres-Pawlis, Sonja
    Geometrical and optical benchmarking of copper guanidine-quinoline complexes : Insights from TD-DFT and many-body perturbation theory
    In: Journal of computational chemistry, Volume 35, Issue 1, Page(s) 1-17 (2013)
    [DOI: 10.1002/jcc.23449]
  • Hoffmann, Alexander; Grunzke, Richard; Herres-Pawlis, Sonja
    Insights into the influence of dispersion correction in the theoretical treatment of guanidine-quinoline copper(I) complexes
    In: Journal of computational chemistry, Volume 35, Issue 27, Page(s) 1943-1950 (2014)
    [DOI: 10.1002/jcc.23706]
  • Hoffmann, Alexander; Rohrmüller, Martin; Jesser, Anton; Vieira, Ines dos Santos; Schmidt, Wolf Gero; Herres-Pawlis, Sonja
    Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes : Insights from TD-DFT and many-body perturbation theory (part II)
    In: Journal of computational chemistry, Volume 35, Issue 29, Page(s) 2146-2161 (2014)
    [DOI: 10.1002/jcc.23740]
  • Herres-Pawlis, Sonja; Hoffmann, Alexander; Gesing, Sandra; de la Garza, Luis; Krüger, Jens; Grunzke, Richard
    User-friendly metaworkflows in quantum chemistry
    In: 2013 IEEE International Conference on Cluster Computing (Cluster 2013) : 23 - 27 Sept. 2013, Indianapolis, IN ; [including] the 5th Workshop on Interfaces and Architectures for Scientific Data Storage (IASDS), Page(s) 3 S. (2013)
    [DOI: 10.1109/CLUSTER.2013.6702700]
  • Herres-Pawlis, Sonja; Hoffmann, Alexander; Balasko, Akos; Kacsuk, Peter; Birkenheuer, Georg; Brinkmann, Andre; Gesing, Sandra; Krüger, Jens; Grunzke, Richard; Packschies, Lars; Terstyansky, Gabor; Weingarten, Noam
    User-friendly workflows in quantum chemistry
    In: Proceedings of the 5th International Workshop on Science Gateways : Zurich, Switzerland, 3-5 June, 2013 / edited by Tamas Kiss, Page(s) 6 S. (2013)
  • Herres-Pawlis, Sonja; Hoffmann, Alexander; Grunzke, Richard; Packschies, Lars
    Orbital analysis of oxo and peroxo dicopper complexes via quantum chemical workflows in MoSGrid
    In: [Proceedings of the 5th International Workshop on Science Gateways : Zurich, Switzerland, 3-5 June, 2013 / edited by Tamas Kiss], Page(s) 6 S. (2013)
  • Vieira, Ines dos Santos; Dietz, Christina; Mohr, Fabian; Beckert, Rainer; Herres-Pawlis, Sonja
    Oxalic Amidines : Protonation Studies and Activity in Lactide Polymerisation
    In: European journal of inorganic chemistry, Volume 2013, Issue 1, Page(s) 99-108 (2012)
    [DOI: 10.1002/ejic.201200838]
  • Iovkova-Berends, Ljuba; Seiger, Miriam; Westfeld, Thomas; Hoffmann, Alexander; Herres-Pawlis, Sonja; Jurkschat, Klaus
    Extending the Family of N-Heterocyclic Heavy Carbene Analogues : Synthesis and Crystal and Molecular Structures of MeN[CH2C(O)N(R)]2Sn (R = Me2NCH2CH2, PhCH2, Me3CCH2) (Eur. J. Inorg. Chem. 34/2013)
    In: European journal of inorganic chemistry, Volume 2013, Issue 34, Page(s) Cover picture + 5809-5809 (2013)
    [DOI: 10.1002/ejic.201390154]
  • Iovkova-Berends, Ljuba; Seiger, Miriam; Westfeld, Thomas; Hoffmann, Alexander; Herres-Pawlis, Sonja; Jurkschat, Klaus
    Extending the Family of N-Heterocyclic Heavy Carbene Analogues : Synthesis and Crystal and Molecular Structures of MeN[CH2C(O)N(R)]2Sn (R = Me2NCH2CH2, PhCH2, Me3CCH2)
    In: European journal of inorganic chemistry, Volume 2013, Issue 34, Page(s) 5808-5808 (2013)
    [DOI: 10.1002/ejic.201301413]
  • Iovkova-Berends, Ljuba; Seiger, Miriam; Westfeld, Thomas; Hoffmann, Alexander; Herres-Pawlis, Sonja; Jurkschat, Klaus
    Extending the Family of N-Heterocyclic Heavy Carbene Analogues : Synthesis and Crystal and Molecular Structures of MeN[CH2C(O)N(R)]2Sn (R = Me2NCH2CH2, PhCH2, Me3CCH2)
    In: European journal of inorganic chemistry, Volume 2013, Issue 34, Page(s) 5836-5842 (2013)
    [DOI: 10.1002/ejic.201300535]
  • Hoffmann, Alexander; Herres-Pawlis, Sonja
    Dissection of Different Donor Abilities Within Bis(pyrazolyl)­pyridinylmethane Transition Metal Complexes
    In: Zeitschrift für anorganische und allgemeine Chemie, Volume 639, Issue 8/9, Page(s) 1426-1432 (2013)
    [DOI: 10.1002/zaac.201300103]
  • Vieira, Ines dos Santos; Whitelaw, Emma L.; Jones, Matthew D.; Herres-Pawlis, Sonja
    Synergistic Empirical and Theoretical Study on the Stereoselective Mechanism for the Aluminum Salalen Complex Mediated Polymerization of rac -Lactide
    In: Chemistry - a European journal, Volume 19, Issue 15, Page(s) 4712-4716 (2013)
    [DOI: 10.1002/chem.201203973]
  • Wagner, Michael; Deáky, Vajk; Dietz, Christina; Martincová, Jana; Mahieu, Bernard; Jambor, Roman; Herres-Pawlis, Sonja; Jurkschat, Klaus
    Insights into the Intramolecular Donor Stabilisation of Organostannylene Palladium and Platinum Complexes : Syntheses, Structures and DFT Calculations
    In: Chemistry - a European journal, Volume 19, Issue 21, Page(s) 6695-6708 (2013)
    [DOI: 10.1002/chem.201203511]
  • von Grebe, Philipp; Suntharalingam, Kogularamanan; Vilar, Ramon; Sanz Miguel, Pablo J.; Herres-Pawlis, Sonja; Lippert, Bernhard
    A Conformationally Flexible Dinuclear Pt II Complex with Differential Behavior of its Two States toward Quadruplex DNA
    In: Chemistry - a European journal, Volume 19, Issue 34, Page(s) 11429-11438 (2013)
    [DOI: 10.1002/chem.201301400]
  • Hoffmann, Alexander; Citek, Cooper; Binder, Stephan; Goos, Arne; Rübhausen, Michael; Troeppner, Oliver; Ivanović-Burmazović, Ivana; Wasinger, Erik C.; Stack, T. Daniel P.; Herres-Pawlis, Sonja
    Katalytische Phenolhydroxylierung mit Sauerstoff : Substratvielfalt jenseits der Proteinmatrix von Tyrosinase
    In: Angewandte Chemie, Volume 125, Issue 20, Page(s) 5508-5512 (2013)
    [DOI: 10.1002/ange.201301249]
  • Hoffmann, Alexander; Citek, Cooper; Binder, Stephan; Goos, Arne; Rübhausen, Michael; Troeppner, Oliver; Ivanović-Burmazović, Ivana; Wasinger, Erik C.; Stack, T. Daniel P.; Herres-Pawlis, Sonja
    Back Cover: Catalytic Phenol Hydroxylation with Dioxygen : Extension of the Tyrosinase Mechanism beyond the Protein Matrix (Angew. Chem. Int. Ed. 20/2013)
    In: Angewandte Chemie / International edition, Volume 52, Issue 20, Page(s) 5408-5408 (2013)
    [DOI: 10.1002/anie.201303052]
  • Hoffmann, Alexander; Citek, Cooper; Binder, Stephan; Goos, Arne; Rübhausen, Michael; Troeppner, Oliver; Ivanović-Burmazović, Ivana; Wasinger, Erik C.; Stack, T. Daniel P.; Herres-Pawlis, Sonja
    Catalytic Phenol Hydroxylation with Dioxygen : Extension of the Tyrosinase Mechanism beyond the Protein Matrix
    In: Angewandte Chemie / International edition, Volume 52, Issue 20, Page(s) 5398-5401 (2013)
    [DOI: 10.1002/anie.201301249]
  • Eckert, Prisca K.; Vieira, Ines dos Santos; Gessner, Viktoria H.; Börner, Janna; Strohmann, Carsten; Herres-Pawlis, Sonja
    Simple is best : Diamine zinc complexes as unexpected catalysts in lactide polymerisation
    In: Polyhedron, Volume 49, Issue 1, Page(s) 151-157 (2012)
    [DOI: 10.1016/j.poly.2012.09.012]
  • Rohrmüller, Martin; Herres-Pawlis, S.; Witte, M.; Schmidt, W. G.
    Bis-μ-oxo and μ-η2:η2-peroxo dicopper complexes studied within (time-dependent) density-functional and many-body perturbation theory
    In: Journal of computational chemistry, Volume 34, Issue 12, Page(s) 1035-1045 (2013)
    [DOI: 10.1002/jcc.23230]
  • Bechthold, Inna; Börner, Janna; Herres-Pawlis, Sonja; Rodion, Kopitzky
    Verfahren zur Herstellung eines Polyesters sowie Zusammensetzung und Formkörper umfassend einen derartigen Polyester
    (2012)
  • Nelson, Bjorn; Herres-Pawlis, Sonja; Hiller, Wolf; Preut, Hans; Strohmann, Carsten; Hiersemann, Martin
    Palladium(II)-Catalyzed Cycloisomerization of Substituted 1,5-Hexadienes : A Combined Experimental and Computational Study on an Open and an Interrupted Hydropalladation/Carbopalladation/β-Hydride Elimination (HCHe) Catalytic Cycle
    In: The journal of organic chemistry, Volume 77, Issue 11, Page(s) 4980-4995 (2012)
    [DOI: 10.1021/jo3004088]
  • Vieira, Ines dos Santos; Herres-Pawlis, Sonja
    Lactide Polymerisation with Complexes of Neutral N-Donors : New Strategies for Robust Catalysts
    In: European journal of inorganic chemistry, Volume 2012, Issue 5, Page(s) 765-774 (2012)
    [DOI: 10.1002/ejic.201101131]
  • Iovkova-Berends, Ljuba; Berends, Thorsten; Zöller, Thomas; Bradtmöller, Gerrit; Herres-Pawlis, Sonja; Jurkschat, Klaus
    Tin(II) and Tin(IV) Compounds with Scorpion-Shaped Ligands : Intramolecular N->Sn vs. Intermolecular O->Sn Coordination
    In: European journal of inorganic chemistry, Volume 2012, Issue 19, Page(s) 3191-3199 (2012)
    [DOI: 10.1002/ejic.201200145]
  • Martincová, Jana; Dostál, Libor; Ruzicka, Ales; Herres-Pawlis, Sonja; Jambor, Roman
    Stabilization of an Intramolecularly Coordinated Stannylidenium Cation
    In: Zeitschrift für anorganische und allgemeine Chemie, Volume 638, Issue 11, Page(s) 1672-1675 (2012)
    [DOI: 10.1002/zaac.201200064]
  • Bienemann, Olga; Froin, Ann-Kathrin; Vieira, Ines dos Santos; Wortmann, Ramona; Hoffmann, Alexander; Herres-Pawlis, Sonja
    Structural Aspects of Copper-Mediated Atom Transfer Radical Polymerization with a Novel Tetradentate Bisguanidine Ligand
    In: Zeitschrift für anorganische und allgemeine Chemie, Volume 638, Issue 11, Page(s) 1683-1690 (2012)
    [DOI: 10.1002/zaac.201200092]
  • Kisslinger, Sandra; Kelm, Harald; Zheng, Sipeng; Beitat, Alexander; Würtele, Christian; Wortmann, Ramona; Bonnet, Sylvestre; Herres-Pawlis, Sonja; Krüger, Hans-Jörg; Schindler, Siegfried
    Synthesis and Characterization of Iron(II) Thiocyanate Complexes with Derivatives of the Tris(pyridine-2-ylmethyl)amine (tmpa) Ligand
    In: Zeitschrift für anorganische und allgemeine Chemie, Volume 638, Issue 12-13, Page(s) 2069-2077 (2012)
    [DOI: 10.1002/zaac.201200237]
  • Vieira, Ines dos Santos; Herres-Pawlis, Sonja
    Novel Guanidine-Quinoline Hybrid Ligands and the Application of their Zinc Complexes in Lactide Polymerisation
    In: Zeitschrift für Naturforschung / B, Volume 67, Issue 4, Page(s) 320-330 (2012)
    [DOI: 10.1515/znb-2012-0405]
  • Baba Haj, Samer; Schürmann, Markus; Iovkova-Berends, Ljuba; Herres-Pawlis, Sonja; Jurkschat, Klaus
    [Me2(i-PrO)SiCH2]2SnBr2 : Evidence for Intramolecular Si–O Bond Activation
    In: Organometallics, Volume 31, Issue 13, Page(s) 4716-4721 (2012)
    [DOI: 10.1021/om300200u]
  • Bouska, Marek; Dostál, Libor; Padelkova, Zdenka; Lycka, Antonín; Herres-Pawlis, Sonja; Jurkschat, Klaus; Jambor, Roman
    Intramolekular koordinierte Organozinntelluride : stabil oder labil?
    In: Angewandte Chemie, Volume 124, Issue 14, Page(s) 3535-3540 (2012)
    [DOI: 10.1002/ange.201107666]
  • Terrae-Rarae-Preis: A. Simon NRW-Innovationspreis: S Herres-Pawlis Albert Einstein World Award of Science: Michael Grätzel
    In: Angewandte Chemie, Volume 124, Issue 19, Page(s) 4598-4598 (2012)
    [DOI: 10.1002/ange.201202358]
  • Bouška, Marek; Dostál, Libor; Padelková, Zdenka; Lycka, Antonín; Herres-Pawlis, Sonja; Jurkschat, Klaus; Jambor, Roman
    Intramolecularly Coordinated Organotin Tellurides : Stable or Unstable?
    In: Angewandte Chemie / International edition, Volume 51, Issue 14, Page(s) 3478-3482 (2012)
    [DOI: 10.1002/anie.201107666]
  • Herres-Pawlis, Sonja
    Terrae Rarae Prize: A. Simon NRW-Innovation Prize: S. Herres-Pawlis Albert Einstein World Award of Science: Michael Grätzel
    In: Angewandte Chemie / International edition, Volume 51, Issue 19, Page(s) 4520 - 4520 (2012)
    [DOI: 10.1002/anie.201202358]
  • Hoffmann, Alexander; Flörke, Ulrich; Herres-Pawlis, Sonja
    Syntheses and characterisation of tris(3-(pyridin-2-yl)-1H-pyrazol-1-yl)methane and its bis(µ-hydroxo) dicobalt(II) complex
    In: Arkivoc, Volume 2012, Issue 3, Page(s) 343-355 (2012)
  • Nelson, Björn; Herres-Pawlis, Sonja; Hiller, Wolf; Preut, Hans; Strohmann, Carsten; Hiersemann, Martin
    Palladium(II)-Catalyzed Cycloisomerization of Substituted 1,5-Hexadienes : A Combined Experimental and Computational Study on an Open and an Interrupted Hydropalladation/Carbopalladation/β-Hydride Elimination (HCHe) Catalytic Cycle
    In: The journal of organic chemistry, Volume 77, Issue 11, Page(s) 4980-4995 (2012)
    [DOI: 10.1021/jo3004088]
  • Gesing, Sandra; Grunzke, Richard; Krüger, Jens; Birkenheuer, Georg; Wewior, Martin; Schäfer, Patrick; Schuller, Bernd; Schuster, Johannes; Herres-Pawlis, Sonja; Breuers, Sebastian; Balaskó, Ákos; Kozlovszky, Miklos; Fabri, Anna Szikszay; Packschies, Lars; Kacsuk, Peter; Blunk, Dirk; Steinke, Thomas; Brinkmann, André; Fels, Gregor; Müller-Pfefferkorn, Ralph; Jäkel, René; Kohlbacher, Oliver
    A Single Sign-On Infrastructure for Science Gateways on a Use Case for Structural Bioinformatics
    In: Journal of grid computing, Volume 10, Issue 4, Page(s) 769-790 (2012)
    [DOI: 10.1007/s10723-012-9247-y]
  • Herres-Pawlis, Sonja; Birkenheuer, Georg; Brinkmann, André; Gesing, Sandra; Grunzke, Richard; Jäkel, René; Kohlbacher, Oliver; Krüger, Jens; Vieira, Ines dos Santos
    Workflow-enhanced conformational analysis of guanidine zinc complexes via a science gateway
    In: Healthgrid applications and technologies meet science gateways for life sciences : [joint proceedings of the Tenth HealthGrid Conference and the Fourth International Workshop on Science Gateways for Life Sciences (IWSG-Life), held in Amsterdam, Netherlands in May 2012] / edited by Sandra Gesing ..., Page(s) 142-151 (2012)
    [DOI: 10.3233/978-1-61499-054-3-142]
  • Gesing, Sandra; Herres-Pawlis, Sonja; Birkenheuer, Georg; Brinkmann, André; Grunzke, Richard; Kacsuk, Peter; Kohlbacher, Oliver; Kozlovszky, Miklos; Krüger, Jens; Müller-Pfefferkorn, Ralph; Schäfer, Patrick; Steinke, Thomas
    A Science Gateway Getting Ready for Serving the International Molecular Simulation Community
    In: [EGI Community Forum 2012, EMI Second Technical Conference : EGICF12-EMITC2 ; 26-30 March, 2012 Munich, Germany], Page(s) 16 S. (2012)
  • Jurkschat, Klaus; Herres-Pawlis, Sonja; Bradtmöller, Gerrit; Börner, Janna; Schürmann, Markus; Gock, Johannes
    Anwendung von polynuklearen Aminoethanolat-Zink-Komplexen in der effizienten Polymerisation von Lactid
    , Page(s) 9 S. (2011)
  • Peveling, Katja; Schürmann, Markus; Herres-Pawlis, Sonja; Silvestru, Cristian; Jurkschat, Klaus
    From Pseudo-octahedral to Pseudo-trigonal Bipyramidal Configuration : Syntheses and Molecular Structures of 4-t-Bu-2,6-[(EtO)2P(O)]2C6H2BiCl2 and [1(Bi),3(P)-Bi(Cl)OP(O)(OEt)-5-t-Bu-7-P(O)(OEt)2]C6H2
    In: Organometallics, Volume 30, Issue 19, Page(s) 5181-5187 (2011)
    [DOI: 10.1021/om200544r]
  • Gesing, Sandra; Kacsuk, Peter; Kozlovsky, Miklos; Birkenheuer, Georg; Blunk, Dirk; Breuers, Sebastian; Brinkmann, Andre; Fels, Gregor; Grunzke, Richard; Herres-Pawlis, Sonja; Krüger, Jens; Packschies, Lars; Müller-Pfefferkorn, Ralf; Schäfer, Patrick; Steinke, Thomas; Fabri, Anna Szikszay; Warzecha, Klaus; Wewior, Martin
    A Science Gateway for Molecular Simulations
    In: Book of abstracts / EGI User Forum 2011 held in conjunction with the EMI Technical Conference : 11–14 April 2011, Vilnius, Lithuania. Editors: Sara Coelho, Neasan O’Neill, Page(s) 94-94 (2011)
  • Birkenheuer, Georg; Blunk, Dirk; Breuers, Sebastian; Brinkmann, André; Fels, Georg; Gesing, Sandra; Grunzke, Richard; Herres-Pawlis, Sonja; Kohlbacher, Oliver; Krüger, Jens; Lang, Ulrich; Packschies, Lars; Müller-Pfefferkorn, Ralph; Schäfer, Patrick; Schuster, Johannes; Steinke, Thomas; Warzecha, Klaus-Dieter; Wewior, Martin
    MoSGrid : Progress of Workflow driven Chemical Simulations
    In: [Proceedings of the Grid Workflow Workshop 2011 : Cologne, Germany, March 4, 2011 / GWW2011 Grid Workflow Workshop 2011 /edited by Klaus-Dieter Warzecha ; Lars Packschies], Page(s) 6 S. (2011)
  • Börner, Janna; Vieira, Ines dos Santos; Flörke, Ulrich; Döring, Artjom; Kuckling, Dirk; Herres-Pawlis, Sonja
    Zinc Complexes with Mono- and Polydentate Behaving Guanidine Ligands and Their Application in Lactide Polymerization
    In: Renewable and sustainable polymers : [with papers presented at the 239th ACS National Meeting & Exposition, March 21-25, 2010, San Francisco, California] / sponsored by the ACS Division of Polymer Chemistry. Gregory F. Payne, editor; Patrick B. Smith, editor, Page(s) 169-200 (2011)
    [DOI: 10.1021/bk-2011-1063.ch011]
  • Haase, Roxana; Beschnitt, Tanja; Flörke, Ulrich; Herres-Pawlis, Sonja
    Bidentate guanidine ligands with ethylene spacer in copper-dioxygen chemistry : Structural characterization of bis(μ-hydroxo) dicopper complexes
    In: Inorganica chimica acta, Volume 374, Issue 1, Page(s) 546-557 (2011)
    [DOI: 10.1016/j.ica.2011.02.061]
  • Jambor, Roman; Herres-Pawlis, Sonja; Schürmann, Markus; Jurkschat, Klaus
    [{2,6-(Me2NCH2)2C6H3}Sn(μ-OH)W(CO)5]2 : A Transition-Metal-Coordinated Organotin(II) Hydroxide
    In: European journal of inorganic chemistry, Volume 2011, Issue 3, Page(s) 344-348 (2010)
    [DOI: 10.1002/ejic.201000892]
  • Wortmann, Ramona; Flörke, Ulrich; Sarkar, Biprajit; Umamaheshwari, Venkatesan; Gescheidt, Georg; Herres-Pawlis, Sonja; Henkel, Gerald
    Synthesis and Characterisation of Novel (Guanidine)manganese Complexes and Their Application in the Epoxidation of 1-Octene
    In: European journal of inorganic chemistry, Volume 2011, Issue 1, Page(s) 121-130 (2010)
    [DOI: 10.1002/ejic.201000836]
  • Bienemann, Olga; Haase, Roxana; Jesser, Anton; Beschnitt, Tanja; Döring, Artjom; Kuckling, Dirk; Vieira, Ines dos Santos; Flörke, Ulrich; Herres-Pawlis, Sonja
    Synthesis and Application of New Guanidine Copper Complexes in Atom Transfer Radical Polymerisation
    In: European journal of inorganic chemistry, Volume 2011, Issue 15, Page(s) 2367-2379 (2011)
    [DOI: 10.1002/ejic.201001197]
  • Börner, Janna; Vieira, Ines dos Santos; Jones, Matthew D.; Döring, Artjom; Kuckling, Dirk; Flörke, Ulrich; Herres-Pawlis, Sonja
    Zinc Complexes with Guanidine-Pyridine Hybrid Ligands : Guanidine Effect and Catalytic Activity
    In: European journal of inorganic chemistry, Volume 2011, Issue 28, Page(s) 4441-4456 (2011)
    [DOI: 10.1002/ejic.201100540]
  • Henn, Markus; Deáky, Vajk; Krabbe, Stefan; Schürmann, Markus; Prosenc, Marc H.; Herres-Pawlis, Sonja; Mahieu, Bernard; Jurkschat, Klaus
    Heteroleptic Organostannylenes and an Organoplumbylene Bearing Phosphorus-Containing Pincer-Type Ligands : Structural Variations and Insights into the Configurational Stability
    In: Zeitschrift für anorganische und allgemeine Chemie, Volume 637, Issue 2, Page(s) 211-223 (2010)
    [DOI: 10.1002/zaac.201000387]
  • Börner, Janna; Vieira, Ines dos Santos; Pawlis, Alexander; Döring, Artjom; Kuckling, Dirk; Herres-Pawlis, Sonja
    Mechanism of the Living Lactide Polymerization Mediated by Robust Zinc Guanidine Complexes
    In: Chemistry - a European journal, Volume 17, Issue 16, Page(s) 4507-4512 (2011)
    [DOI: 10.1002/chem.201002690]
  • Martincová, Jana; Dostál, Libor; Herres-Pawlis, Sonja; Ruzicka, Ales; Jambor, Roman
    Intramolecularly Coordinated [{2,6-(Me2NCH2)2C6H3}SnII]+ : A Strong σ Donor for PtII
    In: Chemistry - a European journal, Volume 17, Issue 27, Page(s) 7423-7427 (2011)
    [DOI: 10.1002/chem.201100417]
  • Bienemann, Olga; Hoffmann, Alexander; Herres-Pawlis, Sonja
    (Guanidine)copper complexes : structural variety and application in bioinorganic chemistry and catalysis
    In: Reviews in inorganic chemistry, Volume 31, Issue 1, Page(s) 83-108 (2011)
    [DOI: 10.1515/revic.2011.003]
  • Strohmann, Carsten; Herres-Pawlis, Sonja; Gessner, Viktoria; Börner, Janna; Eckert, Prisca; Jurkschat, Klaus; Bradtmöller, Gerrit; Schürmann, Markus; Gock, Michael
    Verfahren zur katalytischen Ringöffnungspolymerisation von cyclischen Monomeren
    , Page(s) 50 S. (2010)
  • Wewior, Martin; Packschies, Lars; Blunk, Dirk; Wickeroth, Daniel; Warzecha, Klaus-Dieter; Herres-Pawlis, Sonja; Gesing, Sandra; Breuers, Sebastian; Krüger, Jens; Birkenheuer, Georg; Lang, Ulrich
    The MoSGrid Gaussian Portlet : Technologies for the Implementation of Portlets for Molecular Simulations
    In: Proceedings of the International Workshop on Science Gateways (IWSG10), Catania, Italy, 20-21 September 2010 / Editors: Roberto Barbera ; Giuseppe Andronico ; Giuseppe La Rocca, Page(s) 39-43 (2010)
  • Börner, Janna; Eckert, Prisca; Gessner, Viktoria; Herres-Pawlis, Sonja; Strohmann, Carsten
    Anwendung von Diamin-Zink-Komplexen in der effizienten Polymerisation von Lactid
    , Page(s) 15 S. (2010)
  • Birkenheuer, Georg; Breuers, Sebastian; Brinkmann, André; Blunk, Dirk; Fels, Gregor; Gesing, Sandra; Herres-Pawlis, Sonja; Kohlbacher, Oliver; Krüger, Jens; Packschies, Lars
    Grid-Workflows in Molecular Science
    In: Software Engineering 2010 - Workshopband : (inkl. Doktorandensymposium ) ; Fachtagung des GI-Fachbereichs Softwaretechnik, 22. - 26.02.2010 in Paderborn / Gregor Engels ... (Hrsg.), Page(s) 177-185 (2010)
  • Hoffmann, Alexander; Flörke, Ulrich; Schürmann, Markus; Herres-Pawlis, Sonja
    Novel Synthetic Strategy towards the Efficient Synthesis of Substituted Bis(pyrazolyl)(2-pyridyl)methane Ligands
    In: European journal of organic chemistry, Volume 2010, Issue 21, Page(s) 4136-4144 (2010)
    [DOI: 10.1002/ejoc.201000198]
  • Börner, Janna; Flörke, Ulrich; Döring, Artjom; Kuckling, Dirk; Jones, Matthew D.; Steiner, Melanie; Breuning, Matthias; Herres-Pawlis, Sonja
    Unexpected activity of novel 9-oxabispidine zinc complexes in lactide polymerization
    In: Inorganic chemistry communications, Volume 13, Issue 3, Page(s) 369-371 (2010)
    [DOI: 10.1016/j.inoche.2009.12.024]
  • Neuba, Adam; Herres-Pawlis, Sonja; Seewald, Oliver; Börner, Janna; Heuwing, Andreas J.; Flörke, Ulrich; Henkel, Gerald
    Systematische Studie zu den Koordinationseigenschaften des Guanidin-Liganden Bis(tetramethylguanidino)propan mit den Metallen Mangan, Cobalt, Nickel, Zink, Cadmium, Quecksilber und Silber
    In: Zeitschrift für anorganische und allgemeine Chemie, Volume 636, Issue 15, Page(s) 2641-2649 (2010)
    [DOI: 10.1002/zaac.201000133]
  • Börner, Janna; Flörke, Ulrich; Döring, Artjom; Kuckling, Dirk; Herres-Pawlis, Sonja
    Tracking the Structure-Reactivity Relationship of Zinc Guanidine-Pyridine Hybrid Complexes Initiating Lactide Polymerisation
    In: Modern trends in polymer science : EPF '09 ; selected contributions, European Polymer Congress 2009 - EPF '09, Graz (Austria), July 12 - 17, 2009 / symposium ed.: Franz Stelzer ..., Page(s) 354-365 (2010)
    [DOI: 10.1002/masy.201051049]
  • Niehörster, Oliver; Birkenheuer, Georg; Brinkmann, André; Blunk, Dirk; Elsässer, Brigitta; Herres-Pawlis, Sonja; Krüger, Jens; Niehörster, Julia; Packschies, Lars; Fels, Gregor
    Providing Scientific Software as a Service in Consideration of ServiceLevel Agreements
    In: Proceedings / Cracow Grid Workshop '09, October 12 - 14, 2009, Cracow, Poland / ed.: Marian Bubak .̤, Page(s) 55-63 (2010)
  • Herres-Pawlis, Sonja; Berth, Gerhard; Wiedemeier, Volker; Schmidt, Ludger; Zrenner, Artur; Warnecke, Hans-Joachim
    Oxygen sensing by fluorescence quenching of [Cu(btmgp)I]
    In: Journal of luminescence, Volume 130, Issue 10, Page(s) 1958-1962 (2010)
    [DOI: 10.1016/j.jlumin.2010.05.012]
  • Bienemann, Olga; Haase, Roxana; Flörke, Ulrich; Döring, Artjom; Kuckling, Dirk; Herres-Pawlis, Sonja
    Neue Bisguanidin-Kupfer-Komplexe und ihre Anwendung in der ATRP
    In: Zeitschrift für Naturforschung / B, Volume 65, Issue 7, Page(s) 798–806 (2010)
    [DOI: 10.1515/znb-2010-0705]
  • Hoffmann, Alexander; Börner, Janna; Flörke, Ulrich; Herres-Pawlis, Sonja
    Synthesis and properties of guanidine-pyridine hybridligands and structural characterisation of their mono- and bis(chelated) cobalt complexes
    In: Inorganica chimica acta, Volume 362, Issue 4, Page(s) 1185-1193 (2008)
    [DOI: 10.1016/j.ica.2008.06.002]
  • Wortmann, Ramona; Hoffmann, Alexander; Haase, Roxana; Flörke, Ulrich; Herres-Pawlis, Sonja
    Synthese und Charakterisierung von Cobalt(II)- und Kupfer(I)-Komplexen mit Guanidin-Pyridin-Hybridliganden
    In: Zeitschrift für anorganische und allgemeine Chemie, Volume 635, Issue 1, Page(s) 64-69 (2008)
    [DOI: 10.1002/zaac.200800379]
  • Herres-Pawlis, Sonja; Seshadri, Tarimala; Flörke, Ulrich; Henkel, Gerald
    Reactivity of 2,2'-Bis(2N-(1,1',3,3'-tetramethyl-guanidino))diphenylene-amine with CuI and [Cu(MeCN)4][PF6] : Benzimidazole Formation vs. Cu Oxidation
    In: Zeitschrift für anorganische und allgemeine Chemie, Volume 635, Issue 8, Page(s) 1209-1214 (2009)
    [DOI: 10.1002/zaac.200801349]
  • Börner, Janna; Flörke, Ulrich; Huber, Klaus; Döring, Artjom; Kuckling, Dirk; Herres-Pawlis, Sonja
    Lactide Polymerisation with Air-Stable and Highly Active Zinc Complexes with Guanidine-Pyridine Hybrid Ligands
    In: Chemistry - a European journal, Volume 15, Issue 10, Page(s) 2362-2376 (2009)
    [DOI: 10.1002/chem.200802128]
  • Herres-Pawlis, Sonja; Binder, Stephan; Eich, Andreas; Haase, Roxana; Schulz, Benjamin; Wellenreuther, Gerd; Henkel, Gerald; Rübhausen, Michael; Meyer-Klaucke, Wolfram
    Stabilisation of a Highly Reactive Bis(μ-oxo)dicopper(III) Species at Room Temperature by Electronic and Steric Constraint of an Unconventional Nitrogen Donor Ligand
    In: Chemistry - a European journal, Volume 15, Issue 35, Page(s) 8678-8682 (2009)
    [DOI: 10.1002/chem.200901092]
  • Binder, Stephan; Salomone-Stagni, Marco; Haase, Roxana; Schulz, Benjamin; Eich, Andreas; Henkel, Gerald; Rübhausen, Michael; Herres-Pawlis, Sonja; Meyer-Klaucke, Wolfram
    Characterization of the optically excited state of a bis (μ-oxo)-dicopper(III) species mimicking the hemocyanin and tyrosinase active sites
    In: [14th International Conference on X-Ray Absorption Fine Structure, XAFS14, 26.07.2009-31.07.2009, Camerino, Italy], Page(s) 012201, 4 S. (2009)
    [DOI: 10.1088/1742-6596/190/1/012201]
  • Herres-Pawlis, Sonja
    Außergewöhnliche Donoren und synthetische Vielfalt : Guanidine
    In: Nachrichten aus der Chemie, Volume 57, Issue 1, Page(s) 20-23 (2009)
    [DOI: 10.1002/nadc.200960857]
  • Herres-Pawlis, Sonja; Verma, Pratik; Haase, Roxana; Kang, Peng; Lyons, Christopher T.; Wasinger, Erik C.; Flörke, Ulrich; Henkel, Gerald; Stack, T. Daniel P.
    Phenolate Hydroxylation in a Bis(μ-oxo)dicopper(III) Complex : Lessons from the Guanidine/Amine Series
    In: Journal of the American Chemical Society, Volume 131, Issue 3, Page(s) 1154-1169 (2009)
    [DOI: 10.1021/ja807809x]
  • Börner, Janna; Flörke, Ulrich; Döring, Artjom; Kuckling, Dirk; Jones, Matthew D.; Herres-Pawlis, Sonja
    New Challenge for Classics : Neutral Zinc Complexes Stabilised by 2,2’-Bipyridine and 1,10-Phenanthroline and Their Application in the Ring-Opening Polymerisation of Lactide
    In: Sustainability, Volume 1, Issue 4, Page(s) 1226-1239 (2009)
    [DOI: 10.3390/su1041226]
  • Neuba, Adam; Akin, Enver; Herres-Pawlis, Sonja; Flörke, Ulrich; Henkel, Gerald
    Rare examples of base pairing via a protonated pyridine N atom in two salts of N2,N6-bis­(1,3-dimethyl­imidazolin-2-yl­idene)pyridine-2,6-diamine
    In: Acta crystallographica / C, Volume 64, Issue 5, Page(s) m194-m197 (2008)
    [DOI: 10.1107/S0108270108007567]
  • Herres-Pawlis, Sonja; Haase, Roxana; Akin, Enver; Flörke, Ulrich; Henkel, Gerald
    Syntheses and X-ray Structure Analyses of the First Bis(chelated) Copper and Iron Bisguanidine Complexes
    In: Zeitschrift für anorganische und allgemeine Chemie, Volume 634, Issue 2, Page(s) 295-298 (2007)
    [DOI: 10.1002/zaac.200700392]
  • Neuba, Adam; Herres-Pawlis, Sonja; Flörke, Ulrich; Henkel, Gerald
    Synthese und Strukturen der ersten mehrkernigen Mangan-Guanidin-Komplexe und der ersten Mangan-Komplexe mit mono-protonierten Bis-Guanidinliganden
    In: Zeitschrift für anorganische und allgemeine Chemie, Volume 634, Issue 4, Page(s) 771-777 (2008)
    [DOI: 10.1002/zaac.200700531]
  • Neuba, Adam; Haase, Roxana; Bernard, Martin; Flörke, Ulrich; Herres-Pawlis, Sonja
    Systematische Studie zu den Koordinationseigenschaften des Guanidin-Liganden N1,N2-Bis(1,3-dimethylimidazolidin-2-yliden)-ethan-1,2-diamin mit den Metallen Mn, Co, Ni, Ag und Cu
    In: Zeitschrift für anorganische und allgemeine Chemie, Volume 634, Issue 14, Page(s) 2511-2517 (2008)
    [DOI: 10.1002/zaac.200800335]
  • Börner, Janna; Herres-Pawlis, Sonja; Flörke, Ulrich; Huber, Klaus
    [Bis(guanidine)]zinc Complexes and Their Application in Lactide Polymerisation
    In: European journal of inorganic chemistry, Volume 2007, Issue 36, Page(s) 5645-5651 (2007)
    [DOI: 10.1002/ejic.200700894]
  • Flörke, Ulrich; Herres-Pawlis, Sonja; Heuwing, Andreas; Neuba, Adam; Seewald, Oliver; Henkel, Gerald
    The diprotonated 2,2-(propane-1,3-di­yl)bis­(1,1,3,3-tetra­methyl­guanidinium) cation : packing and conformational changes
    In: Acta crystallographica / C, Volume 62, Issue 6, Page(s) m234-m237 (2006)
    [DOI: 10.1107/S0108270106014429]
  • Herres-Pawlis, Sonja; Flörke, Ulrich; Henkel, Gerald
    Di-[mu]-fluoro-bis­[(acetonitrile){N,N'-bis­[(dimethyl­amino)(morpholino)methyl­ene]propane-1,3-diamine}copper(II)] bis­(hexa­fluoro­phosphate) : the first di-[mu]-fluoro-bridged dicopper bis­guanidine compound
    In: Acta crystallographica / E, Volume 62, Issue 9, Page(s) m2138-m2140 (2006)
    [DOI: 10.1107/S1600536806030972]
  • Herres-Pawlis, Sonja; Flörke, Ulrich; Henkel, Gerald
    N,N,N′,N′-Tetraethylchloroformamidinium chloride, the first acyclic diaminocarbene–Cl2 adduct
    In: Inorganic chemistry communications, Volume 9, Issue 10, Page(s) 996-998 (2006)
    [DOI: 10.1016/j.inoche.2006.05.026]
  • Herres-Pawlis, Sonja; Flörke, Ulrich; Henkel, Gerald
    Tuning of Copper(I)-Dioxygen Reactivity by Bis(guanidine) Ligands
    In: European journal of inorganic chemistry, Volume 2005, Issue 19, Page(s) 3815-3824 (2005)
    [DOI: 10.1002/ejic.200400822]
  • Herres-Pawlis, Sonja; Neuba, Adam; Seewald, Oliver; Seshadri, Tarimala; Egold, Hans; Flörke, Ulrich; Henkel, Gerald
    A Library of Peralkylated Bis-guanidine Ligands for Use in Biomimetic Coordination Chemistry
    In: European journal of organic chemistry, Volume 2005, Issue 22, Page(s) 4879-4890 (2005)
    [DOI: 10.1002/ejoc.200500340]
  • Herres-Pawlis, Sonja; Flörke, Ulrich; Henkel, Gerald
    catena -Poly[[μ-cyano-[1,3-bis(tetramethylguanidino)propane]dicopper(I)]-μ-cyano]
    In: Acta crystallographica / E, Volume 61, Issue 1, Page(s) m79-m81 (2004)
    [DOI: 10.1107/S160053680403199X]
  • Herres, Sonja; Heuwing, Andreas J.; Flörke, Ulrich; Schneider, Jörg; Henkel, Gerald
    Hydroxylation of a methyl group : synthesis of [Cu2(btmmO)2I]+ and of [Cu2(btmmO)2]2+ containing the novel ligand {bis(trimethylmethoxy)guanidino}propane (btmmO) by copper-assisted oxygen activation
    In: Inorganica chimica acta, Volume 358, Issue 4, Page(s) 1089-1095 (2004)
    [DOI: 10.1016/j.ica.2004.10.009]
  • Herres, Sonja; Flörke, Ulrich; Henkel, Gerald
    N , N ′-Bis(dipiperidin-1-ylmethylene)propane-1,3-diamine and N , N ′-bis(1,3-dimethylperhydropyrimidin-2-ylidene)propane-1,3-diamine
    In: Acta crystallographica / C, Volume 60, Issue 5, Page(s) o358-o360 (2004)
    [DOI: 10.1107/S0108270104007012]
  • Herres, Sonja; Flörke, Ulrich; Henkel, Gerald
    The first di-μ-hydroxo-bridged binuclear copper complex containing a bis-guanidine ligand
    In: Acta crystallographica / C, Volume 60, Issue 12, Page(s) m659-m660 (2004)
    [DOI: 10.1107/S0108270104023832]
  • Herres, Sonja; Hesemann, Peter; Moreau, Joel J. E.
    Polystyrene Resins Incorporating BINOL Units : New Materials For Asymmetric Catalysis
    In: European journal of organic chemistry, Volume 2003, Issue 1, Page(s) 99-105 (2002)
    [DOI: 10.1002/1099-0690(200301)2003:1<99::AID-EJOC99>3.0.CO;2-Q]