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Chemistry

D-Index
52
Citations
10091
World Ranking
13471
National Ranking
251

Overview

Célia Fonseca Guerra is affiliated with Vrije Universiteit Amsterdam in the Netherlands, contributing to research primarily in the field of Chemistry. Their scholarly output encompasses numerous publications in various subfields, notably Organic Chemistry, Molecular Biology, Materials Chemistry, Physical and Theoretical Chemistry, and Inorganic Chemistry.

The research topics covered by Célia Fonseca Guerra include:

  • Crystallography and molecular interactions
  • DNA and Nucleic Acid Chemistry
  • Advanced Chemical Physics Studies
  • Advanced biosensing and bioanalysis techniques
  • Crystallization and Solubility Studies
  • X-ray Diffraction in Crystallography
  • Organometallic Complex Synthesis and Catalysis

Frequent publication venues for their work are:

  • Chemistry - A European Journal
  • ChemPhysChem
  • The Cambridge Structural Database
  • Physical Chemistry Chemical Physics
  • Chemistry - An Asian Journal

Some of the recent papers authored or co-authored by Célia Fonseca Guerra include:

  • "Understanding chemical reactivity using the activation strain model," 2020, Nature Protocols
  • "Nature and Strength of Lewis Acid/Base Interaction in Boron and Nitrogen Trihalides," 2020, Chemistry - An Asian Journal
  • "Clarifying notes on the bonding analysis adopted by the energy decomposition analysis," 2022, Physical Chemistry Chemical Physics
  • "Halogen Bonds in Ligand-Protein Systems: Molecular Orbital Theory for Drug Design," 2020, Journal of Chemical Information and Modeling
  • "The Amsterdam Modeling Suite," 2025, The Journal of Chemical Physics

Célia Fonseca Guerra has collaborated frequently with co-authors such as Lucas de Azevedo Santos, F. Matthias Bickelhaupt, Pascal Vermeeren, Trevor A. Hamlin, and Celine Nieuwland, reflecting a network of ongoing scientific partnerships.

Best Publications

  • 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

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

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

  • 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

  • Absolute rates of hole transfer in DNA

    Kittusamy Senthilkumar;Ferdinand C. Grozema;Célia Fonseca Guerra;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

  • 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

  • The Nature of Hydrogen Bonds: A Delineation of the Role of Different Energy Components on Hydrogen Bond Strengths and Lengths

    Stephanie C. C. van der Lubbe;Célia Fonseca Guerra;Célia Fonseca Guerra

  • Highly accelerated inverse electron-demand cycloaddition of electron-deficient azides with aliphatic cyclooctynes

    Jan Dommerholt;Olivia van Rooijen;Annika Borrmann;Célia Fonseca Guerra

  • Performance of various density functionals for the hydrogen bonds in DNA base pairs

    Tushar van der Wijst;Tushar van der Wijst;Célia Fonseca Guerra;Marcel Swart;Marcel Swart;F. Matthias Bickelhaupt

  • π-π stacking tackled with density functional theory

    Marcel Swart;Marcel Swart;Marcel Swart;Tushar van der Wijst;Célia Fonseca Guerra;F. Matthias Bickelhaupt

  • Adenine tautomers : relative stabilities, ionization energies, and mismatch with cytosine

    C. Fonseca Guerra;F.M. Bickelhaupt;S. Saha;F Wang

  • Telomere Structure and Stability: Covalency in Hydrogen Bonds, Not Resonance Assistance, Causes Cooperativity in Guanine Quartets

    Célia Fonseca Guerra;Hester Zijlstra;Gábor Paragi;F. Matthias Bickelhaupt

  • Adenine versus guanine quartets in aqueous solution: dispersion-corrected DFT study on the differences in π-stacking and hydrogen-bonding behavior

    Célia Fonseca Guerra;Tushar van der Wijst;Tushar van der Wijst;Jordi Poater;Marcel Swart

  • Charge Transfer and Environment Effects Responsible for Characteristics of DNA Base Pairing

    Célia Fonseca Guerra;F. Matthias Bickelhaupt

  • Normal-to-Abnormal Rearrangement and NHC Activation in Three-Coordinate Iron(II) Carbene Complexes

    Benjamin M. Day;Thomas Pugh;Daniël Hendriks;Célia Fonseca Guerra

  • Hypervalent Silicon versus Carbon: Ball-in-a-Box Model

    Simon C. A. H. Pierrefixe;Célia Fonseca Guerra;F. Matthias Bickelhaupt

  • Contiguous Metal-Mediated Base Pairs Comprising Two AgI Ions

    Dominik A. Megger;Célia Fonseca Guerra;Jan Hoffmann;Bernhard Brutschy

  • Comparison of the DFT-SAPT and Canonical EDA Schemes for the Energy Decomposition of Various Types of Noncovalent Interactions

    Olga A. Stasyuk;Robert Sedlak;Célia Fonseca Guerra;Pavel Hobza

  • A Ditopic Ion‐Pair Receptor Based on Stacked Nucleobase Quartets

    Tushar van der Wijst;Tushar van der Wijst;Célia Fonseca Guerra;Marcel Swart;F. Matthias Bickelhaupt

  • B-DNA structure and stability: the role of hydrogen bonding, π-π stacking interactions, twist-angle, and solvation.

    Jordi Poater;Marcel Swart;F. Matthias Bickelhaupt;F. Matthias Bickelhaupt;Célia Fonseca Guerra

  • Orbital Interactions in Strong and Weak Hydrogen Bonds are Essential for DNA Replication

    Célia Fonseca Guerra;F. Matthias Bickelhaupt

Frequent Co-Authors

F. Matthias Bickelhaupt
F. Matthias Bickelhaupt Vrije Universiteit Amsterdam
Marcel Swart
Marcel Swart University of Girona
Koop Lammertsma
Koop Lammertsma University of Johannesburg
Jordi Poater
Jordi Poater University of Barcelona
Andreas W. Ehlers
Andreas W. Ehlers University of Amsterdam
Jens Müller
Jens Müller University of Münster
Bernhard Lippert
Bernhard Lippert TU Dortmund University
Maxime A. Siegler
Maxime A. Siegler Johns Hopkins University
Martin Lutz
Martin Lutz Utrecht University
Elisabeth Bouwman
Elisabeth Bouwman Leiden University

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