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Chemistry

D-Index
61
Citations
11959
World Ranking
9334
National Ranking
671

Overview

Bernd Engels is affiliated with the University of Würzburg in Germany and has made significant contributions to the fields of Materials Science and Chemistry. Their work spans multiple subfields including Materials Chemistry, Organic Chemistry, Inorganic Chemistry, Electrical and Electronic Engineering, and Physical and Theoretical Chemistry.

Their research topics focus primarily on crystallization and solubility studies, X-ray diffraction in crystallography, organoboron and organosilicon chemistry, synthesis and characterization of novel inorganic and organometallic compounds, luminescence and fluorescent materials, synthesis and properties of aromatic compounds, and coordination chemistry and organometallics.

Bernd Engels has coauthored numerous papers and frequently collaborates with several researchers. Prominent coauthors include Holger Braunschweig, Felipe Fantuzzi, Ivo Krummenacher, Merle Arrowsmith, and Krzysztof Radacki.

The scientist publishes predominantly in specific venues, with a strong presence in:

  • The Cambridge Structural Database
  • Angewandte Chemie International Edition
  • Angewandte Chemie
  • Chemistry - A European Journal
  • Journal of the American Chemical Society

Recent notable papers include:

  • "cAAC-Stabilized 9,10-diboraanthracenes-Acenes with Open-Shell Singlet Biradical Ground States," 2020, Angewandte Chemie International Edition
  • "Methylbismuth: an organometallic bismuthinidene biradical," 2020, Chemical Science
  • "Anionic Boron- and Carbon-Based Hetero-Diradicaloids Spanned by a p-Phenylene Bridge," 2021, Journal of the American Chemical Society
  • "Dissecting the structure-stability relationship of Y-series electron acceptors for real-world solar cell applications," 2023, Joule
  • "Fluorovinylsulfones and -Sulfonates as Potent Covalent Reversible Inhibitors of the Trypanosomal Cysteine Protease Rhodesain: Structure-Activity Relationship, Inhibition Mechanism, Metabolism, and In Vivo Studies," 2021, Journal of Medicinal Chemistry

Best Publications

  • Nitrogen fixation and reduction at boron

    Marc-André Légaré;Guillaume Bélanger-Chabot;Rian D. Dewhurst;Eileen Welz

  • Exciton Trapping in π-Conjugated Materials: A Quantum-Chemistry-Based Protocol Applied to Perylene Bisimide Dye Aggregates

    Reinhold F. Fink;Joachim Seibt;Volker Engel;Manuel Renz

  • New algorithms for an individually selecting MR-CI program

    M. Hanrath;B. Engels

  • Novel Dengue Virus NS2B/NS3 Protease Inhibitors

    Hongmei Wu;Stefanie Bock;Mariya Snitko;Thilo Berger

  • Electron delocalization in reduced forms of 2-(BMes2)pyrene and 2,7-Bis(BMes2)pyrene

    Lei Ji;Robert M. Edkins;Andreas Lorbach;Ivo Krummenacher

  • Ultrafast Exciton Self-Trapping upon Geometry Deformation in Perylene-Based Molecular Aggregates.

    Alexander Schubert;Volker Settels;Wenlan Liu;Frank Würthner

  • Si-E (E = N, O, F) bonding in a hexacoordinated silicon complex: new facts from experimental and theoretical charge density studies.

    Nikolaus Kocher;Julian Henn;Boris Gostevskii;Daniel Kost

  • First-principles calculations of anisotropic charge-carrier mobilities in organic semiconductor crystals

    V. Stehr;J. Pfister;R. F. Fink;B. Engels

  • Special Section: Closed-Loop Supply Chains: Practice and Potential: Closed-Loop Supply Chains for Spent Batteries

    Unknown

  • Temporary anions - calculation of energy and lifetime by absorbing potentials: the resonance

    T. Sommerfeld;U. V. Riss;H.-D. Meyer;L. S. Cederbaum

  • S=N versus S+-N-: an experimental and theoretical charge density study.

    Leusser D;Henn J;Kocher N;Engels B

  • Understanding ground- and excited-state properties of perylene tetracarboxylic acid bisimide crystals by means of quantum chemical computations.

    Hong-Mei Zhao;Johannes Pfister;Volker Settels;Manuel Renz

  • The Pentaphenylborole–2,6‐Lutidine Adduct: A System with Unusual Thermochromic and Photochromic Properties

    Kay Ansorg;Holger Braunschweig;Ching-Wen Chiu;Bernd Engels

  • A clear correlation between the diradical character of 1,3-dipoles and their reactivity toward ethylene or acetylene.

    Benoit Braida;Christof Walter;Bernd Engels;Philippe C. Hiberty

  • Contribution of Surface Resonances to Scanning Tunneling Microscopy Images: (110) Surfaces of III-V Semiconductors

    Ph. Ebert;B. Engels;P. Richard;K. Schroeder

  • Evidence for substrate binding-induced zwitterion formation in the catalytic Cys-His dyad of the SARS-CoV main protease.

    Alexander Paasche;Andreas Zipper;Simon Schäfer;John Ziebuhr

  • Structure–property relationships for 1,7-diphenoxy-perylene bisimides in solution and in the solid state

    Ángel J. Jiménez;Mei-Jin Lin;Christian Burschka;Johannes Becker

  • What controls the reactivity of 1,3-dipolar cycloadditions?

    Bernd Engels;Manfred Christl

  • Assessment of TD-DFT- and TD-HF-based approaches for the prediction of exciton coupling parameters, potential energy curves, and electronic characters of electronically excited aggregates.

    Wenlan Liu;Volker Settels;Philipp H. P. Harbach;Andreas Dreuw

  • YANA – a software tool for analyzing flux modes, gene-expression and enzyme activities

    Roland F. Schwarz;Patrick Musch;Axel von Kamp;Bernd Engels

  • COMPARISON BETWEEN AB INITIO THEORY AND SCANNING TUNNELING MICROSCOPY FOR (110) SURFACES OF III-V SEMICONDUCTORS

    B. Engels;P. Richard;K. Schroeder;S. Blügel

Frequent Co-Authors

Sigrid D. Peyerimhoff
Sigrid D. Peyerimhoff University of Bonn
Holger Braunschweig
Holger Braunschweig University of Würzburg
Tanja Schirmeister
Tanja Schirmeister Johannes Gutenberg University of Mainz
Frank Würthner
Frank Würthner University of Würzburg
Michael Schmittel
Michael Schmittel University of Siegen
Krzysztof Radacki
Krzysztof Radacki University of Würzburg
Martin Jansen
Martin Jansen Max Planck Society
Carsten Deibel
Carsten Deibel Chemnitz University of Technology
Christoph Lambert
Christoph Lambert University of Würzburg
Christel M. Marian
Christel M. Marian Heinrich Heine University Düsseldorf

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