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Chemistry

D-Index
43
Citations
6885
World Ranking
17220
National Ranking
287

Overview

Jacques Weber is affiliated with the University of Geneva in Switzerland and conducts research primarily in the fields of Physics and Astronomy and Chemistry. Their work spans several subfields including Atomic and Molecular Physics, and Optics; Physical and Theoretical Chemistry; Materials Chemistry; Inorganic Chemistry; and Biomedical Engineering.

The primary research topics associated with Weber include Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Photochemistry and Electron Transfer Studies, Inorganic Fluorides and Related Compounds, Quantum and superfluid helium dynamics, Nonlinear Optical Materials Studies, and Machine Learning in Materials Science.

Weber has contributed to multiple scientific articles, with recent publications focusing on quantum chemistry, photochemistry, and computational modeling. Notable recent papers include:

  • "DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science" (2022) published in Physical Chemistry Chemical Physics
  • "Frontiers in Multiscale Modeling of Photoreceptor Proteins" (2020) published in Photochemistry and Photobiology
  • "On the Correlation Potential in Frozen-Density Embedding Theory" (2020) published in Journal of Chemical Theory and Computation
  • "Embedding-theory-based simulations using experimental electron densities for the environment" (2020) published in Acta Crystallographica Section A Foundations and Advances
  • "The Challenge of Accurate Computation of Two-Photon Absorption Properties of Organic Chromophores in the Condensed Phase" (2021) published in Journal of Chemical Theory and Computation

The majority of Weber's publications appear in specialized journals. Frequent publication venues include:

  • Journal of Chemical Theory and Computation
  • The Journal of Chemical Physics
  • arXiv (Cornell University)
  • Physical Chemistry Chemical Physics
  • Photochemistry and Photobiology

Collaborations with other researchers have been a component of Weber's work. Frequent co-authors include Cristina E. González-Espinoza, Niccolò Ricardi, Mingxue Fu, Tim Gould, and Leeor Kronik.

Best Publications

  • Induced magnetic fields in aromatic [n]-annulenes—interpretation of NICS tensor components

    Clemence Corminboeuf;Thomas Heine;Gotthard Seifert;Paul von Ragué Schleyer

  • Comparative Study of Benzene···X (X = O2, N2, CO) Complexes Using Density Functional Theory: The Importance of an Accurate Exchange−Correlation Energy Density at High Reduced Density Gradients

    Tomasz Adam Wesolowski;Olivier Parisel;Yves Ellinger;Jacques Weber

  • Kohn-Sham equations with constrained electron density: an iterative evaluation of the ground-state electron density of interacting molecules

    Tomasz Adam Wesolowski;Jacques Weber

  • Analysis of Aromatic Delocalization: Individual Molecular Orbital Contributions to Nucleus-Independent Chemical Shifts

    Thomas Heine;Paul von Rague Schleyer;Clemence Corminboeuf;Gotthard Seifert

  • Enantioselective Hydrogenation of Ketopantolactone

    Markus Schürch;Olivier Schwalm;T. Mallat;Jacques Weber

  • Accuracy of approximate kinetic energy functionals in the model of Kohn–Sham equations with constrained electron density: The FH⋅⋅⋅NCH complex as a test case

    Tomasz Adam Wesolowski;Henry Chermette;Jacques Weber

  • A Highly Configurationally Stable [4]Heterohelicenium Cation†

    Christelle Herse;Delphine Bas;Frederik C. Krebs;Thomas Bürgi

  • Enantioselective hydrogenation of α-ketoesters over Pt/alumina modified with cinchonidine: theoretical investigation of the substrate-modifier interaction

    Olivier Schwalm;Bruno Minder;Jacques Weber;Alfons Baiker

  • Evaluation of aromaticity: A new dissected NICS model based on canonical orbitals

    Clémence Corminboeuf;Thomas Heine;Thomas Heine;Jacques Weber

  • Absorption Spectra of Several Metal Complexes Revisited by the Time-Dependent Density-Functional Theory-Response Theory Formalism

    P. Boulet;Henry Chermette;Claude Daul;F. Gilardoni

  • Analysis of paramagnetic NMR spectra of triple-helical lanthanide complexes with 2,6-dipicolinic acid revisited: a new assignment of structural changes and crystal-field effects 25 years later.

    Nadjet Ouali;Bernard Bocquet;Stéphane Rigault;Pierre-Yves Morgantini

  • Density functional theory with an approximate kinetic energy functional applied to study structure and stability of weak van der Waals complexes

    Tomasz Adam Wesolowski;Yves Ellinger;Jacques Weber

  • Second Coordination Shell Water Exchange Rate and Mechanism: Experiments and Modeling on Hexaaquachromium(III)

    Anne Bleuzen;François Foglia;Eric Furet;L. Helm

  • Synthesis and Reactivity of Tethered η1:η6-(Phosphinoarene)ruthenium Dichlorides

    Bruno Therrien;Thomas R. Ward;Melanie Pilkington;Christina Hoffmann

  • Electronic structure of metallocene compounds. 3. Comparison of the results of multiple-scattering X.alpha. calculations with various electronic observables of cobaltocene

    Jacques Weber;Annick Goursot;Edouard Penigault;John H. Ammeter

  • Application of the multiple scattering X.alpha. molecular orbital method to the determination of the electronic structure of metallocene compounds. 1. Dibenzenechromium and its cation

    Jacques Weber;Michel Geoffroy;Annick Goursot;Edouard Penigault

  • First Principles Study of the Structure and Chemistry of Mg-Based Hydrotalcite-Like Anionic Clays

    Andrea Trave;Annabella Selloni;Annick Goursot;and Didier Tichit

  • DFT calculations of the binding energy of metallocenes

    Maria José Mayor-Lopez;Jacques Weber

  • [CpRu((R)-Binop-F)(H2O)][SbF6], a New Fluxional Chiral Lewis Acid Catalyst: Synthesis, Dynamic NMR, Asymmetric Catalysis, and Theoretical Studies

    Valérie Alezra;Gérald Bernardinelli;Clémence Corminboeuf;Urban Frey

  • Density Functional Calculations on Model Clusters of Zeolite-.beta.

    Imre Papai;Annick Goursot;Francois Fajula;Jacques Weber

Frequent Co-Authors

Henry Chermette
Henry Chermette Claude Bernard University Lyon 1
Tomasz Adam Wesolowski
Tomasz Adam Wesolowski University of Geneva
Gérald Bernardinelli
Gérald Bernardinelli University of Geneva
Thomas Heine
Thomas Heine TU Dresden
Annabella Selloni
Annabella Selloni Princeton University
Alfons Baiker
Alfons Baiker ETH Zurich
Clémence Corminboeuf
Clémence Corminboeuf École Polytechnique Fédérale de Lausanne
Andre E. Merbach
Andre E. Merbach École Polytechnique Fédérale de Lausanne
Claude Piguet
Claude Piguet University of Geneva
Imre Pápai
Imre Pápai Hungarian Academy of Sciences

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