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D-Index
89
Citations
25634
World Ranking
2207
National Ranking
162

Overview

Notker Rösch is affiliated with the Technical University of Munich in Germany. Their research primarily focuses on materials science and chemistry, with particular attention to materials chemistry and inorganic chemistry. Additional subfields include catalysis, atomic and molecular physics, optics, and organic chemistry.

Their work covers a range of topics related to catalytic processes and chemical reactions, including catalytic processes in materials science, catalysis and oxidation reactions, asymmetric hydrogenation and catalysis, advanced chemical physics studies, nanoparticles nucleation surface interactions, radioactive element chemistry and processing, and electrocatalysts for energy conversion.

Notker Rösch has contributed to several research papers over recent years. Notable publications include:

  • The origin of the particle-size-dependent selectivity in 1-butene isomerization and hydrogenation on Pd/Al2O3 catalysts, 2021, Nature Communications
  • Strain and Low-Coordination Effects on Monolayer Nanoislands of Pd and Pt on Au(111): A Comparative Analysis Based on Density Functional Results, 2020, The Journal of Physical Chemistry C
  • Leaching of palladium atoms from small cluster models during Heck reactions - An experimental and theoretical study, 2022, Catalysis Communications
  • Hydration Structure and Hydrolysis of U(IV) and Np(IV) Ions: A Comparative Density Functional Study Using a Modified Continuum Solvation Approach, 2020, The Journal of Physical Chemistry A
  • How TeO Defects in the MoVNbTeO Catalyst Material Affect the V4+ Distribution: A Computational Study, 2020, The Journal of Physical Chemistry C

Notker Rösch collaborates frequently with several researchers, including:

  • Alexander Genest
  • Sai V. C. Vummaleti
  • Wenqing Li
  • I. Chiorescu
  • Sven Krüger

Their scientific outputs have been published primarily in journals such as:

  • The Journal of Physical Chemistry C
  • ChemCatChem
  • Nature Communications
  • Catalysis Communications
  • The Journal of Physical Chemistry A

Best Publications

  • Acetylene cyclotrimerization on supported size-selected Pd-n clusters (1 <= n <= 30): one atom is enough!

    S. Abbet;A. Sanchez;U. Heiz;W. D. Schneider

  • From clusters to bulk: A relativistic density functional investigation on a series of gold clusters Aun, n=6,…,147

    Oliver D. Häberlen;Sai-Cheong Chung;Mauro Stener;Notker Rösch

  • Fragment charge difference method for estimating donor-acceptor electronic coupling: Application to DNA π-stacks

    Alexander A. Voityuk;Notker Rösch

  • Electronic Coupling for Charge Transfer and Transport in DNA

    Alexander A. Voityuk;Notker Rösch;M. Bixon, ,‡ and;Joshua Jortner

  • The Gaussian-Type Orbitals Density-Functional Approach to Finite Systems

    B.I. Dunlap;N. Rosch

  • CO Adsorption on Pd Nanoparticles: Density Functional and Vibrational Spectroscopy Studies

    Ilya V. Yudanov;Riadh Sahnoun;Konstantin M. Neyman;Notker Rösch

  • Electronic coupling between Watson–Crick pairs for hole transfer and transport in desoxyribonucleic acid

    Alexander A. Voityuk;Joshua Jortner;M. Bixon;Notker Rösch

  • Systematic Density Functional Study of the Adsorption of Transition Metal Atoms on the MgO(001) Surface

    Ilya Yudanov;Gianfranco Pacchioni;and Konstantin Neyman;Notker Rösch

  • Energetics of hole transfer in DNA

    Alexander A. Voityuk;Joshua Jortner;M. Bixon;Notker Rösch

  • A scalar-relativistic extension of the linear combination of Gaussian-type orbitals local density functional method: application to AuH, AuCl and Au2

    Oliver D. Häberlen;Notker Rösch

  • Quenching of magnetic moments by ligand-metal interactions in nanosized magnetic metal clusters.

    David A. van Leeuwen;J. M. van Ruitenbeek;L. J. de Jongh;A. Ceriotti

  • A transparent interpretation of the relativistic contribution to the N.M.R. ‘heavy atom chemical shift’

    Pekka Pyykkö;Andreas Görling;Notker Rösch

  • Supported nickel and copper clusters on MgO(100): A first‐principles calculation on the metal/oxide interface

    Gianfranco Pacchioni;Notker Rösch

  • Superexchange Mediated Charge Hopping in DNA

    Joshua Jortner;M. Bixon;and Alexander A. Voityuk;Notker Rösch

  • Site preference of CO chemisorbed on Pt(1 1 1) from density functional calculations

    Alfred Gil;Anna Clotet;Josep M. Ricart;Georg Kresse

  • Density functional study of small molecules and transition-metal carbonyls using revised PBE functionals

    Alexei Matveev;Markus Staufer;Markus Mayer;Notker Rösch

  • On C−C Coupling by Carbene-Stabilized Palladium Catalysts: A Density Functional Study of the Heck Reaction

    Katrin Albert;Philip Gisdakis;Notker Rösch

  • On the use of overllapping spheres in the SCF Xα scattered-wave method

    N. Rösch;W.G. Klemperer;K.H. Johnson

  • Adsorption of transition metal atoms on oxygen vacancies and regular sites of the MgO(001) surface

    Alexei V. Matveev;Konstantin M. Neyman;Ilya V. Yudanov;Notker Rösch

  • Size dependence of the adsorption energy of CO on metal nanoparticles: a DFT search for the minimum value.

    Ilya V. Yudanov;Alexander Genest;Swetlana Schauermann;Hans-Joachim Freund

  • Comment on “Concerning the applicability of density functional methods to atomic and molecular negative ions” [J. Chem. Phys. 105, 862 (1996)]

    Notker Rösch;S. B. Trickey

Frequent Co-Authors

Konstantin M. Neyman
Konstantin M. Neyman University of Barcelona
Gianfranco Pacchioni
Gianfranco Pacchioni University of Milano-Bicocca
Alexander A. Voityuk
Alexander A. Voityuk Institució Catalana de Recerca i Estudis Avançats
Maria-Elisabeth Michel-Beyerle
Maria-Elisabeth Michel-Beyerle Technical University of Munich
Anna Maria Ferrari
Anna Maria Ferrari University of Turin
Zhi-Jian Zhao
Zhi-Jian Zhao Tianjin University
Dietrich Menzel
Dietrich Menzel Technical University of Munich
Hubert Schmidbaur
Hubert Schmidbaur Technical University of Munich
Hans-Peter Steinrück
Hans-Peter Steinrück University of Erlangen-Nuremberg
Wolfgang A. Herrmann
Wolfgang A. Herrmann Technical University of Munich

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