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F. Matthias Bickelhaupt

F. Matthias Bickelhaupt

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Chemistry
Netherlands
2025

D-Index & Metrics

Chemistry

D-Index
89
Citations
47014
World Ranking
2122
National Ranking
51

Research.com Recognitions

  • 2025 - Research.com Chemistry in Netherlands Leader Award
  • 2022 - Research.com Chemistry in Netherlands Leader Award

Overview

F. Matthias Bickelhaupt is affiliated with Vrije Universiteit Amsterdam in the Netherlands. Their research primarily focuses on the fields of chemistry and materials science, with 243 publications in chemistry and 97 in materials science. Within these areas, subfields they have contributed to include organic chemistry, materials chemistry, physical and theoretical chemistry, atomic and molecular physics and optics, and inorganic chemistry.

Their main research topics cover crystallization and solubility studies, X-ray diffraction in crystallography, advanced chemical physics studies, crystallography and molecular interactions, chemical reaction mechanisms, asymmetric synthesis and catalysis, and organometallic complex synthesis and catalysis.

The scientist's recent papers demonstrate a focus on chemical reactivity and catalysis. Notable publications include:

  • Understanding chemical reactivity using the activation strain model (2020, Nature Protocols)
  • How Lewis Acids Catalyze Diels-Alder Reactions (2020, Angewandte Chemie International Edition)
  • Chemical reactivity from an activation strain perspective (2021, Chemical Communications)
  • The Pauli Repulsion-Lowering Concept in Catalysis (2021, Accounts of Chemical Research)
  • How Oriented External Electric Fields Modulate Reactivity (2020, Chemistry - A European Journal)

Frequently publishing in well-known scientific journals, Bickelhaupt has contributed numerous papers to The Cambridge Structural Database, Chemistry - A European Journal, Physical Chemistry Chemical Physics, ChemPhysChem, and Chemical Science.

The scientist has collaborated extensively, with frequent co-authors including Trevor A. Hamlin, Pascal Vermeeren, Jordi Poater, Célia Fonseca Guerra, and Jasmin Mecinović. Their publication counts with these collaborators range from 28 to 84 papers.

Best Publications

  • Chemistry with ADF

    G.te Velde;F.M. Bickelhaupt;E.J. Baerends;C. Fonseca Guerra

  • Analyzing Reaction Rates with the Distortion/Interaction‐Activation Strain Model

    F. Matthias Bickelhaupt;F. Matthias Bickelhaupt;Kendall N. Houk

  • Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis.

    Célia Fonseca Guerra;Jan-Willem Handgraaf;Evert Jan Baerends;F. Matthias Bickelhaupt

  • The activation strain model and molecular orbital theory: understanding and designing chemical reactions.

    I. Fernandez;F.M. Bickelhaupt

  • The activation strain model of chemical reactivity

    Willem-Jan van Zeist;F. Matthias Bickelhaupt

  • Understanding reactivity with Kohn–Sham molecular orbital theory: E2–SN2 mechanistic spectrum and other concepts

    F. Matthias Bickelhaupt

  • Hydrogen Bonding in DNA Base Pairs: Reconciliation of Theory and Experiment

    C. Fonseca Guerra;F.M. Bickelhaupt;J.G. Snijders;E.J. Baerends

  • Charge transport in columnar stacked triphenylenes: Effects of conformational fluctuations on charge transfer integrals and site energies

    K. Senthilkumar;F.C. Grozema;F.M. Bickelhaupt;L.D.A. Siebbeles

  • The Nature of the Hydrogen Bond in DNA Base Pairs: The Role of Charge Transfer and Resonance Assistance

    C. Fonseca Guerra;F.M. Bickelhaupt;J.G. Snijders;E.J. Baerends

  • Hydrogen–Hydrogen Bonding in Planar Biphenyl, Predicted by Atoms‐In‐Molecules Theory, Does Not Exist

    Jordi Poater;Miquel Solà;F. Matthias Bickelhaupt

  • Absolute rates of hole transfer in DNA

    Kittusamy Senthilkumar;Ferdinand C. Grozema;Célia Fonseca Guerra;F. Matthias Bickelhaupt

  • The activation strain model and molecular orbital theory.

    Lando P. Wolters;Lando P. Wolters;F. Matthias Bickelhaupt;F. Matthias Bickelhaupt

  • The Carbon−Lithium Electron Pair Bond in (CH3Li)n (n = 1, 2, 4)

    F. Matthias Bickelhaupt;Nicolaas J. R. van Eikema Hommes;and Célia Fonseca Guerra;Evert Jan Baerends

  • The case for steric repulsion causing the staggered conformation of ethane.

    F. Matthias Bickelhaupt;Evert Jan Baerends

  • Orbital overlap and chemical bonding.

    Andreas Krapp;F. Matthias Bickelhaupt;Gernot Frenking

  • Understanding chemical reactivity using the activation strain model.

    Pascal Vermeeren;Stephanie C C van der Lubbe;Célia Fonseca Guerra;Célia Fonseca Guerra;F Matthias Bickelhaupt;F Matthias Bickelhaupt

  • Central Bond in the Three CN• Dimers NC–CN, CN–CN and CN–NC: Electron Pair Bonding and Pauli Repulsion Effects

    F.M. Bickelhaupt;N.M.M. Nibbering;E.M. van Wezenbeek;E.J. Baerends

  • A Model of the Chemical Bond Must Be Rooted in Quantum Mechanics, Provide Insight, and Possess Predictive Power

    Jordi Poater;Miquel Solà;F. Matthias Bickelhaupt

  • Das Distortion/Interaction-Activation-Strain-Modell zur Analyse von Reaktionsgeschwindigkeiten

    F. Matthias Bickelhaupt;F. Matthias Bickelhaupt;Kendall Newcomb Houk

  • Polycyclic benzenoids: why kinked is more stable than straight.

    Jordi Poater;Ruud Visser;Miquel Solà;F Matthias Bickelhaupt

  • Alternatives to the CO Ligand: Coordination of the Isolobal Analogues BF, BNH2, BN(CH3)2, and BO− in Mono‐ and Binuclear First‐Row Transition Metal Complexes

    Andreas W. Ehlers;Evert Jan Baerends;F. Matthias Bickelhaupt;Udo Radius

Frequent Co-Authors

Célia Fonseca Guerra
Célia Fonseca Guerra Vrije Universiteit Amsterdam
Jordi Poater
Jordi Poater University of Barcelona
Marcel Swart
Marcel Swart University of Girona
Miquel Solà
Miquel Solà University of Girona
Israel Fernández
Israel Fernández Complutense University of Madrid
Evert Jan Baerends
Evert Jan Baerends Vrije Universiteit Amsterdam
Koop Lammertsma
Koop Lammertsma University of Johannesburg
Andreas W. Ehlers
Andreas W. Ehlers University of Amsterdam
Kendall N. Houk
Kendall N. Houk University of California, Los Angeles
Fernando P. Cossío
Fernando P. Cossío University of the Basque Country

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