يعرض 1 - 10 نتائج من 17 نتيجة بحث عن '"Bruno Madebène"', وقت الاستعلام: 0.90s تنقيح النتائج
  1. 1
    دورية أكاديمية
    Coupled Anharmonic Vibrational Dynamics of the Hydrogen Bond in Binary Complexes

    المؤلفون: Manuel Goubet, Bruno Madebène, Marius Lewerenz

    المصدر: CHIMIA, Vol 58, Iss 5 (2004)

    مصطلحات موضوعية: Hydrogen-bonded complexes, Hydrogen fluoride, Thirane, Vibrational dynamics, Water, Chemistry, QD1-999

    وصف الملف: electronic resource

    Relation: https://chimia.ch/chimia/article/view/3848; https://doaj.org/toc/0009-4293; https://doaj.org/toc/2673-2424

    URL الوصول: https://doaj.org/article/7717038bb5f6451e9a09f29923c5aa4e

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  2. 2
    Optimization of a New Reactive Force Field for Silver-Based Materials

    المؤلفون: Susanna Monti, Clement Dulong, Johannes Richardi, Bruno Madebène

    المصدر: Journal of chemical theory and computation (Online) 16 (2020): 7089–7099. doi:10.1021/acs.jctc.0c00480
    info:cnr-pdr/source/autori:Dulong C.; Madebene B.; Monti S.; Richardi J./titolo:Optimization of a New Reactive Force Field for Silver-Based Materials/doi:10.1021%2Facs.jctc.0c00480/rivista:Journal of chemical theory and computation (Online)/anno:2020/pagina_da:7089/pagina_a:7099/intervallo_pagine:7089–7099/volume:16

    مصطلحات موضوعية: Physics, Training set, 010304 chemical physics, self-assembled monolayers, Physics::Optics, 01 natural sciences, Quantum chemistry, Force field (chemistry), Computer Science Applications, quantum chemistry, Formalism (philosophy of mathematics), ReaxFF formalism, Classical mechanics, silver-thiolate, 0103 physical sciences, Physical and Theoretical Chemistry, ReaxFF

    URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e344a9f5519236775f278f0cd76188cc
    https://doi.org/10.1021/acs.jctc.0c00480

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  3. 3
    Optimization of a New Reactive Force Field for Silver - Based Materials

    المؤلفون: Clement Dulong, Bruno Madebène, Johannes Richardi, Susanna Monti

    مصطلحات موضوعية: Training set, Materials science, Chemical physics, Force field (physics), Monolayer, Cluster (physics), ReaxFF, Representation (mathematics), Quantum chemistry, Pyramid (geometry)

    URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::10c9d1d30d53abba24a21cd3f6162f6f
    https://doi.org/10.26434/chemrxiv.12280289

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  4. 4
    Competition between inter- and intra-molecular hydrogen bonding: An infrared spectroscopic study of jet-cooled amino-ethanol and its dimer

    المؤلفون: Manuel Goubet, Bruno Madebène, Pierre Asselin, Thérèse R. Huet, Robert Georges, P. Soulard, Olivier Pirali, Anne Zehnacker-Rentien

    المساهمون: De la Molécule aux Nanos-objets : Réactivité, Interactions et Spectroscopies (MONARIS), Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut de Physique de Rennes (IPR), Université de Rennes (UR)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 (PhLAM), Université de Lille-Centre National de la Recherche Scientifique (CNRS), Institut des Sciences Moléculaires d'Orsay (ISMO), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie du CNRS (INC)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Centre National de la Recherche Scientifique (CNRS)

    المصدر: Journal of Chemical Physics
    Journal of Chemical Physics, 2016, 145 (22), pp.224313. ⟨10.1063/1.4972016⟩
    Journal of Chemical Physics, American Institute of Physics, 2016, 145 (22), pp.224313. ⟨10.1063/1.4972016⟩

    مصطلحات موضوعية: [PHYS]Physics [physics], Jet (fluid), 010304 chemical physics, Chemistry, Infrared, Hydrogen bond, Dimer, Anharmonicity, Intermolecular force, General Physics and Astronomy, 010402 general chemistry, Photochemistry, 01 natural sciences, 0104 chemical sciences, chemistry.chemical_compound, Monomer, Molecular vibration, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Physical chemistry, [CHIM]Chemical Sciences, Physical and Theoretical Chemistry, Molecular physics

    URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5923088d346afe2c93d62ac5598bb402
    https://pubmed.ncbi.nlm.nih.gov/27984904

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  5. 5
    Vibrational Spectra and Structures of Ti–N2O and OTi–N2: A Combined IR Matrix Isolation and Theoretical Study

    المؤلفون: Asma Marzouk, Bruno Madebène, Benoît Tremblay, Jean-Pierre Perchard, M. Esmail Alikhani

    المصدر: The Journal of Physical Chemistry A. 117:1697-1705

    مصطلحات موضوعية: Chemistry, Matrix isolation, chemistry.chemical_element, Infrared spectroscopy, chemistry.chemical_compound, symbols.namesake, Neon, Monomer, symbols, Physical chemistry, Moiety, Sublimation (phase transition), Physical and Theoretical Chemistry, van der Waals force, Atomic physics, Titanium

    URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::683cfdac1d2c7f4197539d4676fb73b3
    https://doi.org/10.1021/jp309601e

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  6. 6
    The Conformational Landscape of the 1/1 Diacetyl/water Complex Investigated by Infrared Spectroscopy and Ab Initio Calculations

    المؤلفون: Benoît Tremblay, Mohammad Esmaïl Alikhani, D. Dargent, Emilie-Laure Zins, P. Soulard, Bruno Madebène, Pierre Asselin

    المساهمون: De la Molécule aux Nanos-objets : Réactivité, Interactions et Spectroscopies (MONARIS), Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

    المصدر: Journal of Physical Chemistry A
    Journal of Physical Chemistry A, American Chemical Society, 2016, ⟨10.1021/acs.jpca.6b10492⟩
    Journal of Physical Chemistry A, 2016, ⟨10.1021/acs.jpca.6b10492⟩

    مصطلحات موضوعية: Physics, 010304 chemical physics, Infrared, Anharmonicity, chemistry.chemical_element, Infrared spectroscopy, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Neon, chemistry, Ab initio quantum chemistry methods, Computational chemistry, Molecular vibration, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Physical chemistry, Physics::Chemical Physics, Physical and Theoretical Chemistry, Fourier transform infrared spectroscopy, Spectroscopy

    URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1a53f776d526089eb5b0cadb094e248d
    https://hal.sorbonne-universite.fr/hal-01420389/file/Dargent_2016_The_Conformational.pdf

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  7. 7
    Bonding Nature and Vibrational Signatures of Oxirane:(Water)n=1–3. Assessment of the Performance of the Dispersion-Corrected DFT Methods Compared to the ab initio Results and Fourier Transform Infrared Experimental Data

    المؤلفون: Mohammad Esmaïl Alikhani, Pierre Asselin, M. Cirtog, P. Soulard, Bruno Madebène, Benoît Tremblay

    المصدر: The Journal of Physical Chemistry A. 115:6688-6701

    مصطلحات موضوعية: Ethylene Oxide, Hydrogen, Infrared, Analytical chemistry, Ab initio, Water, chemistry.chemical_element, Vibration, Molecular physics, Neon, symbols.namesake, Fourier transform, chemistry, Spectroscopy, Fourier Transform Infrared, Physics::Atomic and Molecular Clusters, symbols, Quantum Theory, Molecule, Physical and Theoretical Chemistry, Fourier transform infrared spectroscopy, Wave function

    URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::60f8797960ba112d8c43e51e2b038b64
    https://doi.org/10.1021/jp202867t

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  8. 8
    Fourier transform infrared spectroscopy and ab initio theory of acid–hydrogen sulfide clusters: H2S–HCl, D2S–DCl and H2S–(HCl)2

    المؤلفون: P. Soulard, Pierre Asselin, Marius Lewerenz, Bruno Madebène

    المصدر: Phys. Chem. Chem. Phys.. 9:2868-2876

    مصطلحات موضوعية: Models, Molecular, Chemistry, Intermolecular force, General Physics and Astronomy, Infrared spectroscopy, Rotational–vibrational spectroscopy, Deuterium, Hot band, Fourier transform spectroscopy, Models, Chemical, Computational chemistry, Ab initio quantum chemistry methods, Spectroscopy, Fourier Transform Infrared, Physics::Atomic and Molecular Clusters, Physical chemistry, Computer Simulation, Hydrochloric Acid, Hydrogen Sulfide, Rotational spectroscopy, Physics::Chemical Physics, Physical and Theoretical Chemistry, Fourier transform infrared spectroscopy, Acids, Astrophysics::Galaxy Astrophysics

    URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6ef8f83651aead234efec161a3b10415
    https://doi.org/10.1039/b702824e

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  9. 9
    Vibrational dynamics of the hydrogen bond in H2S–HF: Fourier-transform-infrared spectra and ab initio theory

    المؤلفون: M. Esmail Alikhani, Bruno Madebène, P. Soulard, Marius Lewerenz, Pierre Asselin

    المصدر: Phys. Chem. Chem. Phys.. 8:1785-1793

    مصطلحات موضوعية: Electronic correlation, Chemistry, Infrared, Intermolecular force, General Physics and Astronomy, Infrared spectroscopy, Hydrogen Bonding, Vibration, Molecular physics, Hydrofluoric Acid, Hot band, Fourier transform spectroscopy, Computational chemistry, Ab initio quantum chemistry methods, Spectroscopy, Fourier Transform Infrared, Quantum Theory, Computer Simulation, Hydrogen Sulfide, Physics::Chemical Physics, Physical and Theoretical Chemistry, Fourier transform infrared spectroscopy

    URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::827d194518bc183a2e3b186801faee47
    https://doi.org/10.1039/b517814b

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  10. 10
    The cyclic ground state structure of the HF trimer revealed by far infrared jet-cooled Fourier transform spectroscopy

    المؤلفون: Manuel Goubet, Bruno Madebène, Olivier Pirali, Robert Georges, Pierre Asselin, Thérèse R. Huet, P. Soulard, Pascal Roy

    المساهمون: De la Molécule aux Nanos-objets : Réactivité, Interactions et Spectroscopies (MONARIS), Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 (PhLAM), Université de Lille-Centre National de la Recherche Scientifique (CNRS), Institut de Physique de Rennes (IPR), Université de Rennes (UR)-Centre National de la Recherche Scientifique (CNRS), Institut des Sciences Moléculaires d'Orsay (ISMO), Université Paris-Sud - Paris 11 (UP11)-Centre National de la Recherche Scientifique (CNRS), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Centre National de la Recherche Scientifique (CNRS)-Université Pierre et Marie Curie - Paris 6 (UPMC), Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Physique des atomes, lasers, molécules et surfaces (PALMS), Centre National de la Recherche Scientifique (CNRS)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES), Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Centre National de la Recherche Scientifique (CNRS)

    المصدر: Physical Chemistry Chemical Physics
    Physical Chemistry Chemical Physics, 2014, 16 (10), pp.4797-4806. ⟨10.1039/c3cp55047h⟩
    Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2014, 16 (10), pp.4797. ⟨10.1039/c3cp55047h⟩
    Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2014, 16 (10), pp.4797-4806. ⟨10.1039/c3cp55047h⟩

    مصطلحات موضوعية: [PHYS.PHYS.PHYS-AO-PH]Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph], Chemistry, Infrared, Intermolecular force, Analytical chemistry, General Physics and Astronomy, Molecular physics, Spectral line, Fourier transform spectroscopy, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, symbols.namesake, Fourier transform, Far infrared, [PHYS.QPHY]Physics [physics]/Quantum Physics [quant-ph], Excited state, symbols, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Physical and Theoretical Chemistry, Ground state, ComputingMilieux_MISCELLANEOUS

    URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ec2e089f2676f3802e2bd83e21ed42c0
    https://hal.science/hal-00944403

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