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Ultrasonic bandgaps in viscoelastic 1D-periodic media: Mechanical modeling and experimental validation
Max Gattin
,
Nicolas Bochud
,
Giuseppe Rosi
,
Quentin Grossman
,
Davide Ruffoni
et al.
Journal articles
hal-03987236v1
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Variational Approach for Linearly Dependent Moving Bases in Quantum Dynamics: Application to Gaussian Functions
Loïc Joubert-Doriol
Journal articles
hal-03825376v1
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The moving crude adiabatic alternative to the adiabatic representation in excited state dynamics
Rosa Maskri
,
Loïc Joubert-Doriol
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 2022, 380 (2223), ⟨10.1098/rsta.2020.0379⟩
Journal articles
hal-03690112v1
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Should we abandon adiabatic states to describe ultrafast molecular dynamics?
Loïc Joubert-Doriol
5 th meeting GDR Ultrafast Phenomena, Nov 2021, Paris, France
Conference papers
hal-03690114v1
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Communication through the furan ring: the conformational effect on the internal rotation of 5-methyl furfural studied by microwave spectroscopy
Rihab Hakiri
,
Najoua Derbel
,
Ha Vinh Lam Nguyen
,
Halima Mouhib
Journal articles
hal-03183066v1
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From low-energy nonadiabatic dynamics to attochemistry
Loïc Joubert-Doriol
Working Group 2 Workshop of the COST Action CA18222, Feb 2021, Cluj, Romania
Conference papers
hal-03203677v1
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Importance of the modelling of the surrounding environment: example of absorption and emission spectra of oxyluciferin analogues.
Isabelle Navizet
,
Romain Berraud-Pache
,
Cristina Garcia-Iriepa
,
Madjid Zemmouche
7th Chinese-French Workshop in Theoretical Chemistry (CFWTC2019), May 2019, Toulouse, France
Conference papers
hal-02495212v1
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Henri Sainte-Claire Deville, entre ENS, Sorbonne et SCF
Gilberte Chambaud
L'Actualité Chimique, 2018
Journal articles
hal-01832334v1
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Ab-initio design of light absorption through silver atomic clusters decoration of TiO 2
María Pilar de Lara-Castells
,
Carlos Cabrillo
,
David Micha
,
Alexander Mitrushchenkov
,
Tijo Vazhappilly
et al.
Journal articles
hal-01826129v1
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Electronic structure of the [MgO3]+ cation
A. Ben Houria
,
O. Yazidi
,
N. E. Jaidane
,
M. L. Senent
,
M. Hochlaf
et al.
Journal of Chemical Physics, 2012, 136, pp.024316
Journal articles
hal-00749674v1
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Metastable ClO2+ and ClO3+ ions in the gas phase: a combined theoretical and mass spectrometric investigation
V. Brites
,
K. Franzreb
,
M. Hochlaf
Physical Chemistry Chemical Physics, 2011, 13, pp.18315
Journal articles
hal-00766154v1
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Benchmarks for the generation of interaction potentials for scattering calculations: applications to rotationally inelastic collisions of C4 (X3Sig-)
F. Lique
,
J. Klos
,
M. Hochlaf
Physical Chemistry Chemical Physics, 2010, 12, pp.15672
Journal articles
hal-00766188v1
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Reactivity of the NO Dimer: On the Role of the Triplet Electronic States
S. Marouani
,
M. Bahri
,
H. Batis
,
M. Hochlaf
Journal of Physical Chemistry A, 2010, 114, pp.3025
Journal articles
hal-00766203v1
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Ionospheric chemistry: Theoretical treatment of ONOO+ and of NO3+
H. Ndome
,
M. Hochlaf
Journal of Chemical Physics, 2009, 130, pp.204301
Journal articles
hal-00769318v1
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Molecular dynamics simulations of pressure-driven flows and comparison with acceleration-driven flows
Quy-Dong To
,
T. Tung Pham
,
Guy Lauriat
,
Céline Léonard
Journal articles
hal-00714830v1
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Réunion du GDR CORREL
A. Maatouk
,
A. Ben Houria
,
N. E. Jaidane
,
M. Hochlaf
,
N. Ben Amor
et al.
Etude de la structure électronique de FeC2, Nov 2011, Toulouse, France
Conference papers
hal-00803990v1
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Conférence à l'honneur de Benoît Soep
M. Hochlaf
Electronic states of MgO: Spectroscopy, pre-dissociation and cold atomic Mg production, Mar 2010, Orsay, France
Conference papers
hal-00804009v1
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1ère École Internationale de Modélisation Quantique des Surfaces et des Nanomatériaux
N. Hochlaf
Spectroscopie et réactivité des molécules d'intérêt biologique : Spectres du cation 2‐pyridone+ et du dimère (2‐pyridone)2+, Jul 2009, Tunis, France
Conference papers
hal-00804014v1
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Coefficients d'accommodation et glissement dans les écoulements gazeux : étude par dynamique moléculaire.
Quy-Dong To
,
T. Tung Pham
,
Guy Lauriat
,
Céline Léonard
2013
Other publications
hal-00827328v1
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Size dependent vibrational frequency shift of CO+ ions inside helium clusters (Contribution selected for oral presentation)
Marius Lewerenz
,
M. Mladenovic
112. Hauptversammlung der Deutschen Bunsengesellschaft, May 2013, Karlsruhe, Germany
Conference papers
hal-00832571v1
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Quantum Monte Carlo
Marius Lewerenz
2013
Other publications
hal-00832980v1
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Metal Atoms and Ions in Helium Clusters
Marius Lewerenz
Quantum Fluid Clusters, QFC09, May 2009, Dresden, Germany
Conference papers
hal-00832019v1
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The cluster size dependent vibrational frequency shift of CO+ ions inside helium clusters
Marius Lewerenz
International Conference on Quantum Fluid Clusters, QFC2013, Jun 2013, Regensburg, Germany
Conference papers
hal-00832552v1
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Magnesium doped helium clusters: Is the solvation problem solved?
M. Elhiyani
,
Marius Lewerenz
16th Symposium on Atomic and Surface Physics and Related Topics (SASP2008), Jan 2008, Les Diablerets, Switzerland. pp.158-161
Conference papers
hal-00832555v1
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Solvation of alkaline earth metal atoms in large helium clusters
M. Elhiyani
,
Marius Lewerenz
2008
Other publications
hal-00832559v1
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Photodissociation of CH$_3$I in helium clusters: Theoretical study of photofragment stabilities (Contribution selected for oral presentation)
J. Jiang
,
Marius Lewerenz
International Meeting on Atomic and Molecular Physics and Chemistry 2011 (IMAMPC), Jul 2011, Rennes, France
Conference papers
hal-00832564v1
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A multiscale procedure combining finite elements and ab initio calculations to model size-dependent mechanical properties of nanowires
Julien Yvonnet
,
Alexander Mitrushchenkov
,
Qi-Chang He
,
Gilberte Chambaud
2nd International conference on Material Modeling (ICMM2), 2011, Paris, France
Conference papers
hal-00711419v1
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Unravelling Coriolis temperature-dependent effects on doped helium clusters: Vib-rotational Raman spectra of (3,4He)4-Cl2(X)
N. F. Aguirre
,
P. Villarreal
,
G. Delgado-Barrio
,
Alexander Mitrushchenkov
,
M. P. de Lara Castells
et al.
Journal articles
hal-00769197v1
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First-principles based multiscale model of piezoelectric nanowires with surface effects
M.T. Hoang
,
Julien Yvonnet
,
Alexander Mitrushchenkov
,
Gilberte Chambaud
Journal articles
hal-00770998v1
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Interfacial-Bonding-Regulated CO Oxidation over Pt Atoms Immobilized on Gas-Exfoliated Hexagonal Boron Nitride
Xin Liu
,
Hongdan Zhu
,
Roberto Linguerri
,
Yu Han
,
Gilberte Chambaud
et al.
Journal articles
hal-01657811v1
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