Highlight Publications


09
Feb 2024
  • RDM
  • News
  • Paper

Accuracy limit of chemical shift predictions for species in aqueous solution

Phys. Chem. Chem. Phys.: Accurate predictions of chemical shifts of species in aqueous solution are possible by combining ab initio molecular dynamics simulations with quantum-mechanical solvation models.

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20
Jan 2024
  • News
  • Paper

Switchable coordination cages

Nat.Chem: Stimuli-responsive molecules change shape or function under external influences, crucial for intelligent materials, switchable catalysts and bioimaging probes. Light, a key stimulus, allows for waste-free and precise control of processes.

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18
Jan 2024
  • RDM
  • News
  • Paper

Capturing Microsecond Timescale Dynamics

Angew. Chem.Int. Ed.: RESOLV researchers present a solid-state NMR approach to detect symmetric motions of bound ligands

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15
Jan 2024
  • News
  • Paper

Controlled Chemical Reactions in Simple Hydrocarbons

Nature: RESOLV PI Benjamin List and his team developed a new method to create complex molecules from simple ones in a single step. Polyene cyclization can form multiple carbon bonds, rings, and specific 3D structures.

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13
Oct 2023
  • Highlight
  • News
  • Event
  • Early Career
  • Colloquium

755th WE-Heraeus-Seminar Solvation Chemistry and Reactive Molecules

755th WE-Heraeus-Seminar Illuminates Molecular Reactivity in a Solvent Environment

From September 17 to September 23, 2023, the 755th WE-Heraeus-Seminar was held at the Physikzentrum Bad Honnef. Scientifically organised by Prof. Dr. Wolfram Sander from Ruhr-Universität Bochum, Prof. Dr. Elsa Sanchez Garcia from TU Dortmund, and Prof. Dr. Martina Havenith-Newen from Ruhr-Universität Bochum, this…

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15
Aug 2023
  • News
  • Paper

Cover Picture: Electrochemical Aldehyde Oxidation at Gold Electrodes: gem-Diol, non-Hydrated Aldehyde, and Diolate as Electroactive Species

In aqueous electrolytes, aldehydes exist in three forms: The non-hydrated aldehyde, the diol, and the diolate. This studiy show that all three species exhibit electroactivity. Hence, it is possible to formulate approaches for addressing the OH−-induced decomposition of aldehydes during the electrochemical oxidation of aldehydes.

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08
Aug 2023
  • News
  • Paper

Featured in Nature Communications - Editorial Highlights

In collaborative cooperation, three RESOLV groups show how to alter the chirality dynamics of a single molecule through tip-induced van der Waals interactions.

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19
May 2023
  • News
  • Paper

Cover Picture: Isomer-Specific Heavy-Atom Tunneling in the Ring Expansion of Fluorenylazirines

J. Org. Chem.: Two structurally related isomeric benzazirines show very different tunneling behaviors which demonstrate the influence of position isomerism on quantum tunneling rates.

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19
May 2023
  • News
  • Paper

Water Molecules Enable Novel C–C Coupling Reactions on Surfaces

J. Am. Chem. Soc.: A novel surface-confined C–C coupling reaction studied by scanning tunneling microscopy in real space. Two carbene molecules and a water molecule generate Carbene fluorenylidene on a silver surface. 3 RESOLV groups pooled their expertise to find this coupling reaction, which is unprecedented in solution chemistry.

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12
May 2023
  • Highlight
  • Press Releases
  • Award

Humboldt Professorship Conferred in Berlin

Twelve top international researchers were awarded the Alexander von Humboldt Professorship at a ceremony in Berlin on Thursday, 11 May. Among the award winners is Prof. Edvardas Narevicius, who last year moved from the Weizmann Institute of Science in Israel to the Department of Physics at TU Dortmund University. He is recognized worldwide as a pioneer in ultra-low temperature chemistry and is a…

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