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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.
Ultrasonics, 2023, pp.106951. ⟨10.1016/j.ultras.2023.106951⟩
Journal articles hal-03987236v1

Variational Approach for Linearly Dependent Moving Bases in Quantum Dynamics: Application to Gaussian Functions

Loïc Joubert-Doriol
Journal of Chemical Theory and Computation, 2022, 18 (10), pp.5799-5809. ⟨10.1021/acs.jctc.2c00461⟩
Journal articles hal-03825376v1

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

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
Physical Chemistry Chemical Physics, 2018, 20 (40), pp.25577-25582. ⟨10.1039/C8CP04563A⟩
Journal articles hal-03183066v1

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

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

Henri Sainte-Claire Deville, entre ENS, Sorbonne et SCF

Gilberte Chambaud
L'Actualité Chimique, 2018
Journal articles hal-01832334v1

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.
Physical Chemistry Chemical Physics, 2018, 20, pp.19110-19119. ⟨10.1039/C8CP02853B⟩
Journal articles hal-01826129v1

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

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

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

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

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

Molecular dynamics simulations of pressure-driven flows and comparison with acceleration-driven flows

Quy-Dong To , T. Tung Pham , Guy Lauriat , Céline Léonard
Advances in Mechanical Engineering, 2012, pp.580763. ⟨10.1155/2012/580763⟩
Journal articles hal-00714830v1

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

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

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

Coefficients d'accommodation et glissement dans les écoulements gazeux : étude par dynamique moléculaire.

Quy-Dong To , T. Tung Pham , Guy Lauriat , Céline Léonard
Other publications hal-00827328v1

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
Other publications hal-00832980v1

Metal Atoms and Ions in Helium Clusters

Marius Lewerenz
Quantum Fluid Clusters, QFC09, May 2009, Dresden, Germany
Conference papers hal-00832019v1

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

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

Solvation of alkaline earth metal atoms in large helium clusters

M. Elhiyani , Marius Lewerenz
Other publications hal-00832559v1

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

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

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.
Chemical Physics Letters, 2013, 555 (1), pp.12-18. ⟨10.1016/j.cplett.2012.10.048⟩
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 of Applied Physics, 2013, 113 (1), pp.014309. ⟨10.1063/1.4773333⟩
Journal articles hal-00770998v1

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.
ChemistrySelect, 2017, 2, pp.9412-9419. ⟨10.1002/slct.201701663⟩
Journal articles hal-01657811v1