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ChemPhysChem

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Publications

  1. 2024

  2. Published

    Ab Initio Molecular Dynamics Investigation on the Permeation of Sodium and Chloride Ions Through Nanopores in Graphene and Hexagonal Boron Nitride Membranes

    Dehhaghi, Y., Kiakojouri, A., Frank, I. & Nadimi, E., 2 Sept 2024, In: CHEMPHYSCHEM. 25, 17, e202400318.

    Research output: Contribution to journal › Article › Research › peer review

  3. Published

    In situ Low-Energy Electron Microscopy of Chemical Waves on a Composite V-oxide/Rh(110) Surface

    von Boehn, B., Krisponeit, J. O., Falta, J. & Imbihl, R., 20 Aug 2024, In: CHEMPHYSCHEM. 25, 16, 11 p., e202400186.

    Research output: Contribution to journal › Article › Research › peer review

  4. 2023

  5. Published

    Tailored Porous Transport Layers for Optimal Oxygen Transport in Water Electrolyzers: Combined Stochastic Reconstruction and Lattice Boltzmann Method

    Liu, J., Li, M., Yang, Y., Schlüter, N., Mimic, D. & Schröder, D., 15 Sept 2023, In: CHEMPHYSCHEM. 24, 18, e202300197.

    Research output: Contribution to journal › Article › Research › peer review

  6. 2022

  7. Published

    Temperature and Composition Dependent Optical Properties of CdSe/CdS Dot/Rod‐Based Aerogel Networks

    Rusch, P., Pluta, D., Lübkemann, F., Dorfs, D., Zámbó, D. & Bigall, N. C., 19 Jan 2022, In: CHEMPHYSCHEM. 23, 2, e202100755.

    Research output: Contribution to journal › Article › Research › peer review

  8. 2021

  9. Published

    Determination of the “Privileged Structure” of 8-Hydroxyquinoline

    McNaughton, D., Wachsmuth, D., Kraus, P., Herbers, S., Wang, J. & Grabow, J. U., 18 Aug 2021, In: CHEMPHYSCHEM. 22, 16, p. 1692-1697 6 p.

    Research output: Contribution to journal › Article › Research › peer review

  10. 2020

  11. Published

    Cover Feature: The Scent of Maibowle – π Electron Localization in Coumarin from Its Microwave‐Determined Structure (ChemPhysChem 12/2020)

    Nguyen, H. V. L. & Grabow, J., 17 Jun 2020, In: CHEMPHYSCHEM. 21, 12, p. 1216-1216

    Research output: Contribution to journal › Article › Research › peer review

  12. Published

    The Scent of Maibowle – π Electron Localization in Coumarin from Its Microwave-Determined Structure

    Nguyen, H. V. L. & Grabow, J. U., 17 Jun 2020, In: CHEMPHYSCHEM. 21, 12, p. 1243-1248 6 p.

    Research output: Contribution to journal › Article › Research › peer review

  13. 2017

  14. Published

    Inversion of Bicyclic Decanes: Rotational Spectra of the Trans and Double Cis Conformations of 2-Decalone

    Wachsmuth, D., Jahn, M. K., Blanco, S., Gigosos, M. A., Lesarri, A. & Grabow, J. U., 15 Dec 2017, In: CHEMPHYSCHEM. 18, 24, p. 3620-3624 5 p.

    Research output: Contribution to journal › Article › Research › peer review

  15. 2016

  16. External

    Entropy Drives Calcium Carbonate Ion Association

    Kellermeier, M., Raiteri, P., Berg, J. K., Kempter, A., Gale, J. D. & Gebauer, D., 4 Nov 2016, In: CHEMPHYSCHEM. 17, 21, p. 3535-3541 7 p.

    Research output: Contribution to journal › Article › Research › peer review

  17. Published

    Mechanistic Features of the TiO2 Heterogeneous Photocatalysis of Arsenic and Uranyl Nitrate in Aqueous Suspensions Studied by the Stopped-Flow Technique

    Meichtry, J. M., Levy, I. K., Mohamed, H. H., Dillert, R., Bahnemann, D. W. & Litter, M. I., 16 Mar 2016, In: CHEMPHYSCHEM. 17, 6, p. 885-892 8 p.

    Research output: Contribution to journal › Article › Research › peer review

  18. Published

    Synthesis of Plasmonic Cu2-xSe@ZnS Core@Shell Nanoparticles

    Wolf, A., Härtling, T., Hinrichs, D. & Dorfs, D., 2 Mar 2016, In: CHEMPHYSCHEM. 17, 5, p. 717-723 7 p.

    Research output: Contribution to journal › Article › Research › peer review

  19. 2015

  20. Published

    Influence of the Metal Work Function on the Photocatalytic Properties of TiO2 Layers on Metals

    Freitag, J. & Bahnemann, D. W., 17 Aug 2015, In: CHEMPHYSCHEM. 16, 12, p. 2670-2679 10 p.

    Research output: Contribution to journal › Article › Research › peer review

  21. 2014

  22. Published

    Wavefunction-in-Density Functional Theory Embedding for Excited States: Which Wavefunctions, which Densities?

    Daday, C., König, C., Neugebauer, J. & Filippi, C., 20 Oct 2014, In: CHEMPHYSCHEM. 15, 18, p. 3892 1 p.

    Research output: Contribution to journal › Article › Research › peer review

  23. Published

    Catalytic role of TiO2 terminal oxygen atoms in liquid-phase photocatalytic reactions: Oxidation of aromatic compounds in anhydrous acetonitrile

    Montoya, J. F., Bahnemann, D. W., Peral, J. & Salvador, P., 4 Aug 2014, In: CHEMPHYSCHEM. 15, 11, p. 2311-2320 10 p.

    Research output: Contribution to journal › Article › Research › peer review

  24. 2012

  25. Published

    From micro to macro: Access to long-range Li+ diffusion parameters in solids via microscopic 6, 7Li spin-alignment echo NMR spectroscopy

    Wilkening, M. & Heitjans, P., 16 Jan 2012, In: CHEMPHYSCHEM. 13, 1, p. 53-65 13 p.

    Research output: Contribution to journal › Review article › Research › peer review

  26. Published

    Application prospects of spray-assisted layer-by-layer assembly of colloidal nanoparticles

    Otto, T., Mundra, P., Schelter, M., Frolova, E., Dorfs, D., Gaponik, N. & Eychmüller, A., 2012, In: CHEMPHYSCHEM.

    Research output: Contribution to journal › Article › Research › peer review

  27. Published

    Quantum chemical description of absorption properties and excited-state processes in photosynthetic systems

    König, C. & Neugebauer, J., 2012, In: CHEMPHYSCHEM.

    Research output: Contribution to journal › Article › Research › peer review

  28. 2011

  29. Published

    Comment on the note by vayenas and vernoux on "the electrochemical promotion of ethylene oxidation at a Pt/YSZ catalyst"

    Imbihl, R. & Toghan, A., 10 Jun 2011, In: CHEMPHYSCHEM. 12, 9, p. 1764-1766 3 p.

    Research output: Contribution to journal › Review article › Research › peer review

  30. Published

    Study of the efficiency of UV and visible-light photocatalytic oxidation of methanol on mesoporous RuO2-TiO2 nanocomposites

    Ismail, A. A., Robben, L. & Bahnemann, D. W., 2011, In: CHEMPHYSCHEM.

    Research output: Contribution to journal › Article › Research › peer review

  31. 2010

  32. Published

    Conservation of Orbital Symmetry can be Circumvented in Mechanically Induced Reactions

    Friedrichs, J., Lüßmann, M. & Frank, I., 25 Oct 2010, In: ChemPhysChem. 11, 15, p. 3339-3342 4 p.

    Research output: Contribution to journal › Article › Research › peer review

  33. Published

    Intertorsional interactions revealing absolute configurations: The v6 internal rotation heavy-top case of benzotrifluoride

    Ilyushin, V. V., Favero, L. B., Caminati, W. & Grabow, J. U., 16 Aug 2010, In: CHEMPHYSCHEM. 11, 12, p. 2589-2593 5 p.

    Research output: Contribution to journal › Article › Research › peer review

  34. Published

    The formation of DNA photodamage: The role of exciton localization

    Rössle, S., Friedrichs, J. & Frank, I., 21 Jun 2010, In: ChemPhysChem. 11, 9, p. 2011-2015 5 p.

    Research output: Contribution to journal › Article › Research › peer review

  35. Published

    The electrochemical promotion of ethylene oxidation at a pt/YSZ catalyst

    Toghan, A., Rösken, L. M. & Imbihl, R., 3 May 2010, In: CHEMPHYSCHEM. 11, 7, p. 1452-1459 8 p.

    Research output: Contribution to journal › Article › Research › peer review

  36. Published

    Electrochemical Tuning of Spin States of the Endohedral Metallofullerene Y@C-82 as Probed by ESR Spectroelectrochemistry

    Vargova, A., Popov, A., Rapta, P., Sun, B., Zhang, L. & Dunsch, L., 2010, In: CHEMPHYSCHEM.

    Research output: Contribution to journal › Article › Research › peer review

  37. 2009

  38. Published

    Electron transfer from photoexcited TiO2 to Chelating alizarin molecules: Reversible photochromic effect in Alizarin@TiO2 under UV irradiation

    Iorio, Y. D., Brusa, M. A., Feldhoff, A. & Grela, M. A., 11 May 2009, In: ChemPhysChem. 10, 7, p. 1077-1083 7 p.

    Research output: Contribution to journal › Article › Research › peer review

  39. Published

    Origins of material failure in siloxane elastomers from first principles

    Lupton, E. M., Achenbach, F., Weis, J., Bräuchle, C. & Frank, I., 12 Jan 2009, In: ChemPhysChem. 10, 1, p. 119-123 5 p.

    Research output: Contribution to journal › Article › Research › peer review

  40. Published

    Intracrystalline transport resistances in nanoporous zeolite X

    Feldhoff, A., Caro, J., Jobic, H., Ollivier, J., Krause, C. B., Galvosas, P. & Kärger, J., 2009, In: ChemPhysChem. 10, 14, p. 2429-2433 5 p.

    Research output: Contribution to journal › Article › Research › peer review

  41. 2007

  42. Published

    The shape of leucine in the gas phase

    Cocinero, E. J., Lesarri, A., Grabow, J. U., López, J. C. & Alonso, J. L., 12 Mar 2007, In: CHEMPHYSCHEM. 8, 4, p. 599-604 6 p.

    Research output: Contribution to journal › Article › Research › peer review

  43. Published

    Direct measurement of size, three-dimensional shape, and specific surface area of anatase nanocrystals

    Feldhoff, A., Mendive, C., Bredow, T. & Bahnemann, D., 2007, In: CHEMPHYSCHEM.

    Research output: Contribution to journal › Article › Research › peer review

  44. 2006

  45. External

    First-principles simulation of the photoreaction of a capped azobenzene: The rotational pathway is feasible

    Nonnenberg, C., Gaub, H. & Frank, I., 17 Jul 2006, In: ChemPhysChem. 7, 7, p. 1455-1461 7 p.

    Research output: Contribution to journal › Article › Research › peer review

  46. Published

    Adsorption of functionalized benzoic acids on MgSO4· H2O (100)

    Maslyuk, V., Tegenkamp, C., Pfnür, H. & Bredow, T., 3 May 2006, In: ChemPhysChem. 7, 5, p. 1055-1061 7 p.

    Research output: Contribution to journal › Article › Research › peer review

  47. 2005

  48. External

    Light-driven unidirectional rotation in a molecule: ROKS simulation

    Grimm, S., Bräuchle, C. & Frank, I., 5 Sept 2005, In: ChemPhysChem. 6, 9, p. 1943-1947 5 p.

    Research output: Contribution to journal › Article › Research › peer review

  49. 2004

  50. Published

    Molecular complexes of organometallic molecules with noble gases: The rotational spectrum of dimethylsilane-argon

    Ottaviani, P., Melandri, S., Caminati, W., Banser, D., Schnell, M. & Grabow, J. U., 12 Nov 2004, In: CHEMPHYSCHEM. 5, 11, p. 1772-1778 7 p.

    Research output: Contribution to journal › Article › Research › peer review

  51. 2003

  52. External

    QM/MM Car-Parrinello Molecular Dynamics Study of the Solvent Effects on the Ground State and on the First Excited Singlet State of Acetone in Water

    Röhrig, U. F., Frank, I., Hutter, J., Laio, A., VandeVondele, J. & Rothlisberger, U., 14 Nov 2003, In: ChemPhysChem. 4, 11, p. 1177-1182 6 p.

    Research output: Contribution to journal › Article › Research › peer review

  53. 2001

  54. Published

    Colloidal Organization and Clusters: Self-Assembly of Polyoxometalate-Surfactant Complexes towards Three-Dimensional Organized Structures

    Polarz, S., Smarsly, B. & Antonietti, M., Jul 2001, In: CHEMPHYSCHEM.

    Research output: Contribution to journal › Article › Research › peer review