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Bernard Silvi

Bernard Silvi

D-Index & Metrics

Chemistry

D-Index
65
Citations
18880
World Ranking
7555
National Ranking
260

Overview

Bernard Silvi is affiliated with Sorbonne University in France and focuses on research that intersects the fields of chemistry and physics. Their work spans multiple main fields of study including Chemistry and Physics and Astronomy. The subfields of their research notably cover Atomic and Molecular Physics, and Optics, Physical and Theoretical Chemistry, Organic Chemistry, Renewable Energy, Sustainability and the Environment, and Materials Chemistry.

Their research topics include:

  • Advanced Chemical Physics Studies
  • Crystallography and molecular interactions
  • Chemical Thermodynamics and Molecular Structure
  • CO2 Reduction Techniques and Catalysts
  • Machine Learning in Materials Science
  • Ammonia Synthesis and Nitrogen Reduction
  • Organometallic Complex Synthesis and Catalysis

Bernard Silvi has been published primarily in journals such as:

  • Journal of Molecular Modeling
  • Journal of Computational Chemistry
  • The Journal of Chemical Physics
  • International Journal of Quantum Chemistry

Recent papers by Silvi include:

  • Towards an unified chemical model of secondary bonding, 2020, Journal of Molecular Modeling
  • Electron group localization in atoms and molecules, 2022, The Journal of Chemical Physics
  • Microsolvation of cobalt, nickel, and copper atoms with ammonia: a theoretical study of the solvated electron precursors, 2024, Journal of Molecular Modeling
  • Isomerism in secondary bonded complexes: Do structural rules apply?, 2021, International Journal of Quantum Chemistry
  • Modulation of the Product Upon the Reaction of CO2 With Dimethylamine Cluster: A Topological Analysis of the Reaction Mechanism, 2025, Journal of Computational Chemistry

The scientist collaborates frequently with a set of co-authors, including:

  • M. E. Alikhani
  • H. Ratajczak
  • Bruno Madebène

Best Publications

  • Classification of chemical bonds based on topological analysis of electron localization functions

    B. Silvi;A. Savin

  • Computational tools for the electron localization function topological analysis

    Stéphane Noury;Xénophon Krokidis;Franck Fuster;Bernard Silvi

  • Theoretical evaluation of electron delocalization in aromatic molecules by means of atoms in molecules (AIM) and electron localization function (ELF) topological approaches.

    Jordi Poater;Miquel Duran;Miquel Solà;Bernard Silvi

  • Topological analysis of the electron localization function applied to delocalized bonds

    A. Savin;B. Silvi;F. Colonna

  • Characterization of Elementary Chemical Processes by Catastrophe Theory

    Xénophon Krokidis;Stéphane Noury;Bernard Silvi

  • Does the topological approach characterize the hydrogen bond

    Franck Fuster;Bernard Silvi

  • Theoretical analysis of the structures of titanium dioxide crystals

    Adil Fahmi;Christian Minot;Bernard Silvi;Mauro Causá

  • The synaptic order: a key concept to understand multicenter bonding

    Bernard Silvi

  • Charge-shift bonding--a class of electron-pair bonds that emerges from valence bond theory and is supported by the electron localization function approach.

    Sason Shaik;David Danovich;Bernard Silvi;David L. Lauvergnat

  • Extended gaussian-type valence basis sets for calculations involving non-empirical core pseudopotentials

    Y. Bouteiller;C. Mijoule;M. Nizam;J.C. Barthelat

  • Topological Analysis of the Electron Localization Function (ELF) Applied to the Electrophilic Aromatic Substitution

    Franck Fuster;and Alain Sevin;Bernard Silvi

  • The Joint Use of Catastrophe Theory and Electron Localization Function to Characterize Molecular Mechanisms. A Density Functional Study of the Diels-Alder Reaction between Ethylene and 1,3-Butadiene

    Slawomir Berski;Juan Andres;Bernard Silvi;Luis R. Domingo

  • Direct Space Representation of the Metallic Bond

    Bernard Silvi;Carlo Gatti

  • Understanding reaction mechanisms in organic chemistry from catastrophe theory applied to the electron localization function topology.

    Victor Polo;Juan Andres;Slawomir Berski;Luis R. Domingo

  • Analysis of the delocalization in the topological theory of chemical bond

    S. Noury;F. Colonna;A. Savin;B. Silvi

  • Mixed sites and promoter segregation: A DFT study of the manifestation of Le Chatelier's principle for the Co(Ni)MoS active phase in reaction conditions

    E. Krebs;B. Silvi;P. Raybaud

  • Chemical Bonding in Hypervalent Molecules: Is the Octet Rule Relevant?

    Stéphane Noury;Bernard Silvi;Ronald J. Gillespie

  • How topological partitions of the electron distributions reveal delocalization

    Bernard Silvi

  • Electron localization function at the correlated level

    Eduard Matito;Bernard Silvi;Miquel Duran;Miquel Solà

  • The Spin-Pair Compositions as Local Indicators of the Nature of the Bonding

    Bernard Silvi

  • Topological analysis of the metal-metal bond: A tutorial review

    Christine Lepetit;Christine Lepetit;Pierre Fau;Pierre Fau;Katia Fajerwerg;Katia Fajerwerg;Myrtil L. Kahn;Myrtil L. Kahn

Frequent Co-Authors

Juan Andrés
Juan Andrés Jaume I University
Luis R. Domingo
Luis R. Domingo University of Valencia
Miquel Solà
Miquel Solà University of Girona
Armando Beltrán
Armando Beltrán Jaume I University
Majed Chergui
Majed Chergui École Polytechnique Fédérale de Lausanne
Carlo Gatti
Carlo Gatti National Research Council (CNR)
Miquel Duran
Miquel Duran University of Girona
Carla Roetti
Carla Roetti University of Turin
Andreas Savin
Andreas Savin Sorbonne University
Gary J. Schrobilgen
Gary J. Schrobilgen McMaster University

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