Raman spectra and DFT calculations of thiophenol molecules adsorbed on a gold surface
Merlen, A, Berthomieu, D, Edely, M, Rerat, M
Published in Physical chemistry chemical physics : PCCP (14.12.2022)
Published in Physical chemistry chemical physics : PCCP (14.12.2022)
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Journal Article
A Computational Exploration of the CO Adsorption in Cation-Exchanged Faujasites
Nour, Z, Berthomieu, D, Yang, Q, Maurin, G
Published in Journal of physical chemistry. C (26.11.2012)
Published in Journal of physical chemistry. C (26.11.2012)
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Journal Article
Nickel Coordination to Lattice Oxygens in Basic LSX, X and Y Sodium Faujasites: A DFT Study
Guesmi, H, Costa, D, Berthomieu, D, Massiani, P
Published in Journal of physical chemistry. C (07.04.2011)
Published in Journal of physical chemistry. C (07.04.2011)
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Journal Article
Site-Specific Anchoring of a Flavonol Dye into Zeolite β Nanoparticles
Doussineau, T, Berthomieu, D, Floquet, N, Smaïhi, M
Published in Journal of physical chemistry. C (31.05.2007)
Published in Journal of physical chemistry. C (31.05.2007)
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Journal Article
Copper Coordination to Water and Ammonia in CuII-Exchanged SSZ-13: Atomistic Insights from DFT Calculations and in Situ XAS Experiments
Kerkeni, B, Berthout, D, Berthomieu, D, Doronkin, D. E, Casapu, M, Grunwaldt, J.-D, Chizallet, C
Published in Journal of physical chemistry. C (26.07.2018)
Published in Journal of physical chemistry. C (26.07.2018)
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Journal Article
Copper Coordination to Water and Ammonia in Cu II -Exchanged SSZ-13: Atomistic Insights from DFT Calculations and in Situ XAS Experiments
Kerkeni, B., Berthout, D., Berthomieu, D., Doronkin, D. E., Casapu, M., Grunwaldt, J.-D., Chizallet, C.
Published in Journal of physical chemistry. C (26.07.2018)
Published in Journal of physical chemistry. C (26.07.2018)
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Journal Article
4-Amino-1,2,4-triazole-3-thione-derived Schiff bases as metallo-β-lactamase inhibitors
Gavara, Laurent, Sevaille, Laurent, De Luca, Filomena, Mercuri, Paola, Bebrone, Carine, Feller, Georges, Legru, Alice, Cerboni, Giulia, Tanfoni, Silvia, Baud, Damien, Cutolo, Giuliano, Bestgen, Benoît, Chelini, Giulia, Verdirosa, Federica, Sannio, Filomena, Pozzi, Cecilia, Benvenuti, Manuela, Kwapien, Karolina, Fischer, Marina, Becker, Katja, Frère, Jean-Marie, Mangani, Stefano, Gresh, Nohad, Berthomieu, Dorothée, Galleni, Moreno, Docquier, Jean-Denis, Hernandez, Jean-François
Published in European journal of medicinal chemistry (15.12.2020)
Published in European journal of medicinal chemistry (15.12.2020)
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Journal Article
Web Resource
[C6H6iso-C3H7+] and [C6H7+C3H6] ion-molecule complexes: theoretical calculations
Berthomieu, D, Brenner, V, Ohanessian, G, Denhez, J. P, Millie, P, Audier, H. E
Published in Journal of the American Chemical Society (01.03.1993)
Published in Journal of the American Chemical Society (01.03.1993)
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Journal Article
4-( N -Alkyl- and -Acyl-amino)-1,2,4-triazole-3-thione Analogs as Metallo-β-Lactamase Inhibitors: Impact of 4-Linker on Potency and Spectrum of Inhibition
Gavara, Laurent, Verdirosa, Federica, Legru, Alice, Mercuri, Paola Sandra, Nauton, Lionel, Sevaille, Laurent, Feller, Georges, Berthomieu, Dorothée, Sannio, Filomena, Marcoccia, Francesca, Tanfoni, Silvia, De Luca, Filomena, Gresh, Nohad, Galleni, Moreno, Docquier, Jean-Denis, Hernandez, Jean-François
Published in Biomolecules (Basel, Switzerland) (23.07.2020)
Published in Biomolecules (Basel, Switzerland) (23.07.2020)
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Journal Article
Web Resource
[Acylium ketene] ion-neutral complexes in the gas phase
Tortajada, J, Berthomieu, D, Morizur, J. P, Audier, H. E
Published in Journal of the American Chemical Society (01.12.1992)
Published in Journal of the American Chemical Society (01.12.1992)
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Journal Article
Comparative Density Functional Theory Study of the Binding of Ligands to Cu+ and Cu2+: Influence of the Coordination and Oxidation State
Ducéré, Jean-Marie, Goursot, Annick, Berthomieu, Dorothée
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (20.01.2005)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (20.01.2005)
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Journal Article
Experimental and theoretical approaches to the study of TMI-zeolite (TM = Fe, Co, Cu)
Berthomieu, Dorothée, Jardillier, Nicolas, Delahay, Gérard, Coq, Bernard, Goursot, Annick
Published in Catalysis today (30.12.2005)
Published in Catalysis today (30.12.2005)
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Journal Article
Conference Proceeding
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
COQ, Bernard, DELAHAY, Gérard, DURAND, Robert, BERTHOMIEU, Dorothée, AYALA-VILLAGOMEZ, Enrique
Published in The journal of physical chemistry. B (29.07.2004)
Published in The journal of physical chemistry. B (29.07.2004)
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Journal Article
Theoretical Modeling of a Copper Site in a Cu(II)−Y Zeolite
Berthomieu, Dorothée, Krishnamurty, Saïlaja, Coq, Bernard, Delahay, Gérard, Goursot, Annick
Published in The journal of physical chemistry. B (15.02.2001)
Published in The journal of physical chemistry. B (15.02.2001)
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Journal Article