Dorothée Berthomieu

Senior Scientist at CNRS - APIMATH group

  • National Committee of Research and Higher Education (CNESER) (2015-now)
  • National Research Committee of CNRS
    • Section 14 (member of the “bureau) (2008-2016)
    • CID50 (President) (2013-2016)
    • Chemistry Department of the CNRS (member of the “bureau”) (2005-2006)
    • CPCN (coordination of the presidents) and C3N(coordination of the three national research committee of CNRS) – 2013-2016


Institut Charles Gerhardt Montpellier

Dorothée Berthomieu
Permanent - DR, Equipe D3
ICGM - UMR 5253
104 rue de la Galéra
34095 Montpellier

04 67 16 34 73
  • 1983 Master 2 in organic chemistry (University of Paris XI)
  • 1986 PhD (University of Paris XI)
  • 1999 Habilitation à Diriger des Recherches (University of Montpellier)
  • 1988-1992 Researcher CNRS (permanent position) at UPMC (University of Paris VI -UPMC)
  • o cations and radical cations reactivity using Mass Spectrometry and Quantum Mechanics Calculations (HF, post-HF and semi-empirical QM)
  • 1993 -1997 Researcher CNRS (Associate scientist 1st class) at the “Institut European des Membranes” (Ecole Nationale Supérieure de Chimie de Montpellier)
  • Plasma Study of material deposition (Aluminium Nitride) using Plasma Enhanced Chemical Vapor Deposition technique using Mass Spectrometry, Emission Spectroscopy and QM Calculations
  • Since 1998- Researcher CNRS (Senior scientist 2nd class since 2006) at the Institut Charles Gerhardt de Montpellier, MACS group
  • Theoretical modelling (DFT methods) of the structure and reactivity of materials (metal exchanged zeolites, organic-inorganic and hybrid materials) containing transition metal and alcalin ions and catalysts. Theoretical modelling of the N2O catalytic decomposition over Fer ions in zeolites. Theoretical modelling of biomolecules. Theoretical modelling of IR vibrational spectra of metalloenzymes
  • 2016 Session Chair for EMN meeting in Las Vegas (11 -13 october 2016)
  • 2005 Co-organiser of the DFT meeting in Cap d'Agde (18 -20 may 2005)
  • 2016-2017 Practical courses in modeling chemistry (students from ENSCM)
  • 2006-2014 Practical courses in modeling chemistry each year (graduate students from ENSCM)
  • 2013-2014 Quantum chemistry courses to graduate students (Erasmus mundus MAMASELF)

Research topics

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Research funding, contracts

  • 2014-2017 ANR ANTIMBL project (Inhibition of metallo-ß-lactamases (MBLs) to fight the bacterial resistance to ß-lactam antibiotics)

Formation continue

  • 2006, 2008 et 2011 Co-organisation of « Ecoles Thématiques of CNRS » entitled "Modélisation des propriétés chimico-physiques de molécules : maîtrise de l'outil quantique" at the ESNCM





  • 102 Articles
  • 4 handbook chapters published in three different fields

Télécharger la liste de vos publications au format csv ou au format Pdf

  • N. Jardillier, E A. Villagomez, G. Delahay, B. Coq and D. Berthomieu
    Probing Cu-I-exchanged zeolite with CO, DFT modeling and experiment,
    J. Phys. Chem. B 2006, 110, 16413-16421
  • D. Berthomieu and G. Delahay
    Recent advances in (CuY)-Y-I/II, Experiments and modeling,
    Catalysis Reviews-Science and Engineering 2006, 48, 269-313
  • N. Jardillier, D. Berthomieu, A. Goursot, J U. Reveles and A M. Koster
    Theoretical study of (CuY)-Y-I zeolite, Structure and electronic properties,
    J. Phys. Chem. B 2006, 110, 18440-18446
  • J M. Ducere, A. Goursot and D. Berthomieu
    Comparative density functional theory study of the binding of ligands to Cu+ and Cu2+, Influence of the coordination and oxidation state,
    J. Phys. Chem. A 2005, 109, 400-408
  • D. Berthomieu, N. Jardillier, G. Delahay, B. Coq and A. Goursot
    Experimental and theoretical approaches to the study of TMI-zeolite (TM = Fe, Co, Cu),
    Catal. Today 2005, 110, 294-302
  • Annick Goursot, Bernard Coq, Francois Fajula, Dorothee Berthomieu and Gerard Delahay
    Toward a molecular description of heterogeneous catalysis, transition metal ions in zeolites. [Erratum to document cited in CA139:012913],
    J. Catal. 2004, 225, 256
  • B. Coq, G. Delahay, R. Durand, D. Berthomieu and E. Ayala-Villagomez
    The influence of cocations H, Na, and Ba on the properties of Cu-faujasite for the selective catalytic reduction of NO by NH3, An Operando DRIFT study,
    J. Phys. Chem. B 2004, 108, 11062-11068
  • A. Goursot and D. Berthomieu
    Calculated magnetic properties for the characterization of zeolite active sites,
    Magn. Reson. Chem. 2004, 42, S180-S186
  • D. Berthomieu, J M. Ducere and A. Goursot
    A theoretical study of Cu(II) sites in a faujasite-type zeolite, Structures and electron paramagnetic resonance hyperfine coupling constants,
    J. Phys. Chem. B 2002, 106, 7483-7488
  • G. Delahay, E A. Villagomez, J M. Ducere, D. Berthomieu, A. Goursot and B. Coq
    Selective catalytic reduction of NO by NH3 on Cu-faujasite catalysts, An experimental and quantum chemical approach,
    ChemPhysChem 2002, 3, 686-692
  • D. Berthomieu, S. Krishnamurty, B. Coq, G. Delahay and A. Goursot
    Theoretical modeling of a copper site in a Cu(II)-Y zeolite,
    J. Phys. Chem. B 2001, 105, 1149-1156

Institut Charles Gerhardt Montpellier - Direction

  • Pôle Chimie Balard Recherche
  • CC 043 - 1919 route de Mende
  • 34293 Montpellier cedex 5
  • Tel: +33 (0)4 67 61 36 14
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