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1دورية أكاديمية
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
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2
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:16مصطلحات 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
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3
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 -
4
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
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5
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
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6
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
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7
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
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8
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 -
9
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 -
10
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