Search Results - "Merle, S."

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  1. 1

    Perspectives in Dye Chemistry: A Rational Approach toward Functional Materials by Understanding the Aggregate State by Bialas, David, Kirchner, Eva, Röhr, Merle I. S, Würthner, Frank

    Published in Journal of the American Chemical Society (31-03-2021)
    “…The past 20 years have witnessed a renaissance of dye chemistry, moving from traditional colorant research toward functional materials. Different from…”
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    Complement System Part II: Role in Immunity by Merle, Nicolas S, Noe, Remi, Halbwachs-Mecarelli, Lise, Fremeaux-Bacchi, Veronique, Roumenina, Lubka T

    Published in Frontiers in immunology (26-05-2015)
    “…The complement system has been considered for a long time as a simple lytic cascade, aimed to kill bacteria infecting the host organism. Nowadays, this vision…”
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    Configuration Interaction in Frontier Molecular Orbital Basis for Screening the Spin-Correlated, Spatially Separated Triplet Pair State 1(T···T) Formation by Singh, Anurag, Röhr, Merle I. S.

    Published in Journal of chemical theory and computation (08-10-2024)
    “…In the theoretical screening of Singlet Fission rates in molecular aggregates, often the frontier molecular orbital model for dimers is employed. However, the…”
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    Steering the multiexciton generation in slip-stacked perylene dye array via exciton coupling by Hong, Yongseok, Rudolf, Maximilian, Kim, Munnyon, Kim, Juno, Schembri, Tim, Krause, Ana-Maria, Shoyama, Kazutaka, Bialas, David, Röhr, Merle I. S., Joo, Taiha, Kim, Hyungjun, Kim, Dongho, Würthner, Frank

    Published in Nature communications (02-08-2022)
    “…Dye arrays from dimers up to larger oligomers constitute the functional units of natural light harvesting systems as well as organic photonic and photovoltaic…”
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    Tuning phenoxyl-substituted diketopyrrolopyrroles from quinoidal to biradical ground states through (hetero-)aromatic linkers by Rausch, Rodger, Röhr, Merle I. S, Schmidt, David, Krummenacher, Ivo, Braunschweig, Holger, Würthner, Frank

    Published in Chemical science (Cambridge) (11-11-2020)
    “…Strongly fluorescent halochromic 2,6-di- tert -butyl-phenol-functionalised phenyl-, thienyl- and furyl-substituted diketopyrrolopyrrole (DPP) dyes were…”
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    Exciton Dynamics from Strong to Weak Coupling Limit Illustrated on a Series of Squaraine Dimers by Röhr, Merle I. S, Marciniak, Henning, Hoche, Joscha, Schreck, Maximilian H, Ceymann, Harald, Mitric, Roland, Lambert, Christoph

    Published in Journal of physical chemistry. C (19-04-2018)
    “…We present a joint theoretical and experimental study on the light-induced exciton relaxation dynamics in a series of three squaraine dimers spanning the range…”
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  10. 10

    metaFALCON: A Program Package for Automatic Sampling of Conical Intersection Seams Using Multistate Metadynamics by Lindner, Joachim O, Sultangaleeva, Karina, Röhr, Merle I. S, Mitrić, Roland

    Published in Journal of chemical theory and computation (11-06-2019)
    “…The multistate metadynamics for automatic exploration of conical intersection seams and systematic location of minimum energy crossing points in molecular…”
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    Photocontrolled Reversible Amyloid Fibril Formation of Parathyroid Hormone-Derived Peptides by Paschold, André, Schäffler, Moritz, Miao, Xincheng, Gardon, Luis, Krüger, Stephanie, Heise, Henrike, Röhr, Merle I. S., Ott, Maria, Strodel, Birgit, Binder, Wolfgang H.

    Published in Bioconjugate chemistry (17-07-2024)
    “…Peptide fibrillization is crucial in biological processes such as amyloid-related diseases and hormone storage, involving complex transitions between folded,…”
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  13. 13

    New theoretical methods for the exploration of functional landscapes by Röhr, Merle I. S.

    Published in International journal of quantum chemistry (15-12-2021)
    “…Molecular functionality can be often directly attributed to given properties of the electronic wavefunction. Analogous to the potential energy surface, these…”
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  14. 14

    Site-dependence of van der Waals interaction explains exciton spectra of double-walled tubular J-aggregates by Megow, Jörg, Röhr, Merle I S, Schmidt am Busch, Marcel, Renger, Thomas, Mitrić, Roland, Kirstein, Stefan, Rabe, Jürgen P, May, Volkhard

    Published in Physical chemistry chemical physics : PCCP (14-03-2015)
    “…The simulation of the optical properties of supramolecular aggregates requires the development of methods, which are able to treat a large number of coupled…”
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    Endohedral Hydrogen Bonding Templates the Formation of a Highly Strained Covalent Organic Cage Compound by Schäfer, Natalie, Bühler, Michael, Heyer, Lisa, Röhr, Merle I. S., Beuerle, Florian

    Published in Chemistry : a European journal (01-04-2021)
    “…A highly strained covalent organic cage compound was synthesized from hexahydroxy tribenzotriquinacene (TBTQ) and a meta‐terphenyl‐based diboronic acid with an…”
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    Impact of substituents on molecular properties and catalytic activities of trinuclear Ru macrocycles in water oxidation by Meza-Chincha, Ana-Lucia, Lindner, Joachim O, Schindler, Dorothee, Schmidt, David, Krause, Ana-Maria, Röhr, Merle I. S, Mitri, Roland, Würthner, Frank

    Published in Chemical science (Cambridge) (07-08-2020)
    “…Herein we report a broad series of new trinuclear supramolecular Ru(bda) macrocycles bearing different substituents at the axial or equatorial ligands which…”
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    Voluminous eruption from a zoned magma body after an increase in supply rate at Axial Seamount by Chadwick, W. W., Paduan, J. B., Clague, D. A., Dreyer, B. M., Merle, S. G., Bobbitt, A. M., Caress, D. W., Philip, B. T., Kelley, D. S., Nooner, S. L.

    Published in Geophysical research letters (16-12-2016)
    “…Axial Seamount is the best monitored submarine volcano in the world, providing an exceptional window into the dynamic interactions between magma storage,…”
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    Energy Transfer Between Squaraine Polymer Sections: From Helix to Zigzag and All the Way Back by Lambert, Christoph, Koch, Federico, Völker, Sebastian F, Schmiedel, Alexander, Holzapfel, Marco, Humeniuk, Alexander, Röhr, Merle I. S, Mitric, Roland, Brixner, Tobias

    Published in Journal of the American Chemical Society (24-06-2015)
    “…We provide a joint experimental and theoretical study of squaraine polymers in solution. The absorption spectra show evidence that two different conformations…”
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    Diffuse reflectance spectroscopy of the spine: improved breach detection with angulated fibers by Losch, Merle S, Kardux, Famke, Dankelman, Jenny, Hendriks, Benno H W

    Published in Biomedical optics express (01-02-2023)
    “…Accuracy in spinal fusion varies greatly depending on the experience of the physician. Real-time tissue feedback with diffuse reflectance spectroscopy has been…”
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