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Mass-Metallicity Trends in Transiting Exoplanets from Atmospheric Abundances of H2O, Na, and K
Luis Welbanks
,
Nikku Madhusudhan
,
Nicole F. Allard
,
Ivan Hubeny
,
Fernand Spiegelman
,
et al.
Conference papers
obspm-04011678v1
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Dependence upon charge of the vibrational spectra of small Polycyclic Aromatic Hydrocarbon clusters: the example of pyrene
Léo Dontot
,
Fernand Spiegelman
,
Sébastien Zamith
,
Mathias Rapacioli
Journal articles
hal-02989143v1
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Threshold collision induced dissociation of pyrene cluster cations
Sébastien Zamith
,
Jean-Marc L'Hermite
,
Léo Dontot
,
Linjie Zheng
,
Mathias Rapacioli
,
et al.
Journal articles
hal-02915964v1
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A new set of atmosphere and evolution models for cool T–Y brown dwarfs and giant exoplanets
M. W. Phillips
,
Pascal Tremblin
,
I. Baraffe
,
G. Chabrier
,
N. F. Allard
,
et al.
Journal articles
cea-02571500v1
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Theoretical investigation of the electronic relaxation in highly excited chrysene and tetracene: The effect of armchair vs zigzag edge
Evgeny Posenitskiy
,
Mathias Rapacioli
,
Didier Lemoine
,
Fernand Spiegelman
Journal articles
hal-02491991v1
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Density-functional tight-binding: basic concepts and applications to molecules and clusters
Fernand Spiegelman
,
Nathalie Tarrat
,
Jérôme Cuny
,
Léo Dontot
,
Evgeny Posenitskiy
,
et al.
Journal articles
hal-02512933v1
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Mass–Metallicity Trends in Transiting Exoplanets from Atmospheric Abundances of H 2 O, Na, and K
Luis Welbanks
,
Nikku Madhusudhan
,
Nicole Allard
,
Ivan Hubeny
,
Fernand Spiegelman
,
et al.
Journal articles
hal-03013779v1
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Thermal evaporation of pyrene clusters
Sébastien Zamith
,
Mingchao Ji
,
Jean-Marc L'Hermite
,
Christine Joblin
,
Léo Dontot
,
et al.
Journal articles
hal-02375800v1
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Structures and Energetics of Neutral and Cationic Pyrene Clusters
Léo Dontot
,
Fernand Spiegelman
,
Mathias Rapacioli
Journal articles
hal-02385894v1
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Evidencing the relationship between isomer spectra and melting: the 20- and 55-atom silver and gold cluster cases
Mathias Rapacioli
,
Fernand Spiegelman
,
Nathalie Tarrat
Journal articles
hal-02326863v1
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New study of the line profiles of sodium perturbed by H 2
Nicole F. Allard
,
Fernand Spiegelman
,
Thierry Leininger
,
P. Molliere
Journal articles
hal-02282079v1
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Non-adiabatic molecular dynamics investigation of the size dependence of the electronic relaxation in polyacenes
Evgeny Posenitskiy
,
Mathias Rapacioli
,
Bruno Lepetit
,
Didier Lemoine
,
Fernand Spiegelman
Journal articles
hal-02156273v2
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Density-functional tight-binding approach for metal clusters, nanoparticles, surfaces and bulk: application to silver and gold
Jérôme Cuny
,
Nathalie Tarrat
,
Fernand Spiegelman
,
Arthur Huguenot
,
Mathias Rapacioli
Journal articles
hal-01847474v1
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Au 147 nanoparticles: Ordered or amorphous?
Nathalie Tarrat
,
Mathias Rapacioli
,
Fernand Spiegelman
Journal articles
hal-01806660v1
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Melting of the Au 20 Gold Cluster: Does Charge Matter?
Mathias Rapacioli
,
Nathalie Tarrat
,
Fernand Spiegelman
Journal articles
hal-01779774v1
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Molecular Dynamics Study of the Collision-Induced Reaction of H with CO on Small Water Clusters
Kseniia Korchagina
,
Fernand Spiegelman
,
Jérôme Cuny
Journal articles
hal-01684045v1
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Theoretical investigation of the solid–liquid phase transition in protonated water clusters
Kseniia Korchagina
,
Aude Simon
,
Mathias Rapacioli
,
Fernand Spiegelman
,
Jean-Marc L'Hermite
,
et al.
Journal articles
hal-01620074v1
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Size Effect in the Ionization Energy of PAH Clusters
Christine Joblin
,
Léo Dontot
,
G.A. Garcia
,
Fernand Spiegelman
,
Mathias Rapacioli
,
et al.
Journal articles
hal-01583599v1
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Structure prediction of nanoclusters from global optimization techniques: Computational strategies and connection to experiments
Philippe Carbonnière
,
Michel Rérat
,
Fernand Spiegelman
,
Ajit J. Thakkar
Journal articles
hal-01529270v1
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Global optimization of neutral and charged 20- and 55-atom silver and gold clusters at the DFTB level
Nathalie Tarrat
,
Mathias Rapacioli
,
Jérôme Cuny
,
Joseph Morillo
,
Jean-Louis Heully
,
et al.
Journal articles
hal-01529346v1
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Blue line wings of resonance lines of potassium and sodium perturbed by molecular hydrogen and rare gases
John Kielkopf
,
Nicole F Allard
,
V. A. Alekseev
,
Fernand Spiegelman
,
G. Guillon
,
et al.
Journal articles
hal-01872847v1
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Structural Characterization of Sulfur-Containing Water Clusters Using a Density-Functional Based Tight-Binding Approach
Kseniia Korchagina
,
Aude Simon
,
Mathias Rapacioli
,
Fernand Spiegelman
,
Jérôme Cuny
Journal articles
hal-01418247v1
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Structure and stability of Na+Xen clusters
M. Slama
,
K. Issa
,
F. Ben Mohamed
,
M. Ben El Hadj Rhouma
,
Fernand Spiegelman
Journal articles
hal-01418266v1
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Benchmarking Density Functional Based Tight-Binding for Silver and Gold Materials: From Small Clusters to Bulk
Luiz F.L. Oliveira
,
Nathalie Tarrat
,
Jérôme Cuny
,
Joseph Morillo
,
Didier Lemoine
,
et al.
Journal articles
hal-01392312v1
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K–H 2 line shapes for the spectra of cool brown dwarfs
Nicole F. Allard
,
Fernand Spiegelman
,
J. F. Kielkopf
Journal articles
hal-01339938v1
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An extended DFTB-CI model for charge-transfer excited states in cationic molecular clusters: model studies versus ab initio calculations in small PAH clusters
Léo Dontot
,
Nicolas Suaud
,
Mathias Rapacioli
,
Fernand Spiegelman
Journal articles
hal-01270665v1
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Cationic Methylene–Pyrene Isomers and Isomerization Pathways: Finite Temperature Theoretical Studies
Mathias Rapacioli
,
Aude Simon
,
Charlotte C.M. Marshall
,
Jérôme Cuny
,
Damian Kokkin
,
et al.
Journal articles
hal-01252811v1
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Phase changes of the water hexamer and octamer in the gas phase and adsorbed on polycyclic aromatic hydrocarbons
Luiz F. L. Oliveira
,
Jérôme Cuny
,
Maxime Morinière
,
Léo Dontot
,
Aude Simon
,
et al.
Journal articles
hal-01169312v1
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Water Clusters in an Argon Matrix: Infrared Spectra from Molecular Dynamics Simulations with a Self-Consistent Charge Density Functional-Based Tight Binding/Force-Field Potential
Aude Simon
,
Christophe Iftner
,
Joëlle Mascetti
,
Fernand Spiegelman
Journal articles
hal-01149493v1
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A density functional tight binding/force field approach to the interaction of molecules with rare gas clusters: Application to (C6H6)+/0Ar n clusters
Christophe Iftner
,
Aude Simon
,
Kseniia Korchagina
,
Mathias Rapacioli
,
Fernand Spiegelman
Journal articles
hal-00935781v1
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