Publications by authors named "Bruno Madebene"

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Structural Flexibility and Electronic Tuning in N-Substituted Anionic Reduced Flavins: Implications for Flavoenzyme Intermediates.
Nadia Dozova, Fabien Lacombat, Pascal Plaza, Djemel Hamdane, Bruno Madebène

J Phys Chem B· July 2025

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Microsolvation of cobalt, nickel, and copper atoms with ammonia: a theoretical study of the solvated electron precursors.
Mohammad Esmaïl Alikhani, Bruno Madebène, Bernard Silvi

J Mol Model· June 2024

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Optimization of a New Reactive Force Field for Silver-Based Materials.
Clement Dulong, Bruno Madebene, Susanna Monti, Johannes Richardi

J Chem Theory Comput· November 2020

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Competition between inter- and intra-molecular hydrogen bonding: An infrared spectroscopic study of jet-cooled amino-ethanol and its dimer.
Pierre Asselin, Bruno Madebène, Pascale Soulard, Robert Georges, Manuel Goubet

J Chem Phys· December 2016

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Topological reaction sites--very strong chalcogen bonds.
Esmail Alikhani, Franck Fuster, Bruno Madebene, Sławomir J Grabowski

Phys Chem Chem Phys· February 2014

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Structural and dynamic properties of a hydrogen bond from the study of the CH3Cl-HCl complex and isotopic species.
Manuel Goubet, Pierre Asselin, Pascale Soulard, Bruno Madebène

J Phys Chem A· November 2013

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Electronic structure and chemical bonding in the OTi-N2 complexes: a systematic ab initio and DFT study.
Asma Marzouk, Bruno Madebène, M Esmaïl Alikhani

J Phys Chem A· May 2013

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Vibrational spectra and structures of Ti-N2O and OTi-N2: a combined IR matrix isolation and theoretical study.
Asma Marzouk, M Esmaïl Alikhani, Bruno Madebène, Benoît Tremblay, Jean-Pierre Perchard

J Phys Chem A· February 2013

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Towards a scalable and accurate quantum approach for describing vibrations of molecule-metal interfaces.
David M Benoit, Bruno Madebene, Inga Ulusoy, Luis Mancera, Yohann Scribano

Beilstein J Nanotechnol· August 2012

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Fourier transform infrared spectroscopy and ab initio theory of acid-hydrogen sulfide clusters: H2S-HCl, D2S-DCl and H2S-(HCl)(2).
Pierre Asselin, Pascale Soulard, Bruno Madebène, Marius Lewerenz

Phys Chem Chem Phys· June 2007

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Vibrational dynamics of the hydrogen bond in H(2)S-HF: Fourier-transform-infrared spectra and ab initio theory.
Pierre Asselin, Pascale Soulard, Bruno Madebène, M Esmail Alikhani, Marius Lewerenz

Phys Chem Chem Phys· April 2006

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