Recherche - Archive ouverte HAL Accéder directement au contenu

Filtrer vos résultats

130 résultats

Wetting to Non-wetting Transition in Sodium-Coated C_60

J. Roques , Florent Calvo , Fernand Spiegelman , C. Mijoule
Physical Review Letters, 2003, 90, pp.075505
Article dans une revue hal-00125888v1
Image document

Theoretical study of the hydrated Gd3+ ion: Structure, dynamics, and charge transfer

C. Clavaguéra , Florent Calvo , J.-P. Dognon
Journal of Chemical Physics, 2006, 124 (7), pp.074505 - 1-6. ⟨10.1063/1.2167647⟩
Article dans une revue hal-00083884v1
Image document

Gd(III) polyaminocarboxylate chelate: realistic manybody molecular dynamics simulations for molecular imaging applications

C. Clavaguéra , E. Sansot , Florent Calvo , J.-P. Dognon
Journal of Physical Chemistry B, 2006, 110, pp.12848-12851. ⟨10.1021/jp062277c⟩
Article dans une revue hal-00087119v1

Thermal expansion of free-standing graphene: benchmarking semi-empirical potentials

Y Magnin , G Förster , Franck Rabilloud , F. Calvo , A. Zappelli , et al.
Journal of Physics: Condensed Matter, 2014, 26 (18), pp.185401. ⟨10.1088/0953-8984/26/18/185401⟩
Article dans une revue hal-02042975v1

Crossover between ionic/covalent and pure ionic bonding in magnesium oxyde clusters

Florent Calvo
2003
Pré-publication, Document de travail hal-00120677v1

On the premelting features in sodium clusters

Florent Calvo , Fernand Spiegelman
Journal of Chemical Physics, 2004, 120 numéro 20, pp.9684-9689
Article dans une revue hal-00120745v1
Image document

Infrared Spectra of Deprotonated Dicarboxylic Acids: IRMPD Spectroscopy and Empirical Valence‐Bond Modeling

Florian Thaunay , Florent Calvo , Edith Nicol , Gilles Ohanessian , Carine Clavaguéra
ChemPhysChem, 2019, 20 (6), pp.803-814. ⟨10.1002/cphc.201800947⟩
Article dans une revue hal-02161622v1

Velocity distribution of molecules sequentially evaporated from H+(H2O)4

F. Berthias , L. Feketeovà , H. Abdoul-Carime , Florent Calvo , B. Farizon , et al.
12th European Conference on Atoms Molecules and Photons (ECAMP12), Sep 2016, Frankfurt, Germany
Poster de conférence in2p3-02086513v1

Self-assembly of (WO 3 ) 3 clusters on a highly oriented pyrolytic graphite surface and nanowire formation: a combined experimental and theoretical study

Xin Tang , Kit Bowen , Florent Calvo
Physical Chemistry Chemical Physics, 2017, 19 (46), pp.31168-31176. ⟨10.1039/c7cp04952h⟩
Article dans une revue hal-02043119v1
Image document

Energy Dispersion in Pyridinium–Water Nanodroplets upon Irradiation

Paul Bertier , Léo Lavy , Denis Comte , Linda Feketeová , Thibaud Salbaing , et al.
ACS Omega, 2022, 7 (12), pp.10235-10242. ⟨10.1021/acsomega.1c06842⟩
Article dans une revue hal-03644456v1

Coating of C60 by para-H2 and ortho-D2 : revisiting the solvation shell—CMMSE

Florent Calvo , Ersin Yurtsever
Journal of Mathematical Chemistry, 2017, 55 (7), pp.1370-1375. ⟨10.1007/s10910-016-0679-7⟩
Article dans une revue hal-02043106v1
Image document

Close-packing transitions in clusters of Lennard-Jones spheres

Florent Calvo , Mohammed Benali , Vincent Gerbaud , Mehrdji Hemati
Computing Letters, 2005, 1 (4), pp.183-191. ⟨10.1163/157404005776611295⟩
Article dans une revue hal-03601717v1

Collision-induced dissociation of protonated water clusters: Maxwell-Bolztmann statistics versus non-ergodic events

F. Berthias , L. Feketeova , M. Marciante , Florent Calvo , V. Forquet , et al.
29th International Conference on Photonic Electronic and Atomic Collisions (ICPEAC 2015), Jul 2015, Toledo, Spain
Poster de conférence in2p3-02086503v1
Image document

Radiative relaxation in isolated large carbon clusters: Vibrational emission versus recurrent fluorescence

Ozan Lacinbala , Florent Calvo , Clément Dubosq , C. Falvo , Pascal Parneix , et al.
Journal of Chemical Physics, 2022, 156 (4), pp.144305. ⟨10.1063/5.0080494⟩
Article dans une revue hal-03689196v1
Image document

Environmental Plasmonic Spectroscopy of Silver–Iron Nanoparticles: Chemical Ordering under Oxidizing and Reducing Conditions

Julien Ramade , Emmanuel Cottancin , Marie-Ange Lebeault , Cyril Langlois , Laurent Piccolo , et al.
Journal of Physical Chemistry C, 2019, 123 (25), pp.15693-15706. ⟨10.1021/acs.jpcc.9b02422⟩
Article dans une revue hal-02361740v1

Many-body effects on the structures and stability of Ba 2+ Xe n ( n = 1–39, 54) clusters

Kawther Abdessalem , Héla Habli , Houcine Ghalla , Saud Jamil Yaghmour , Florent Calvo , et al.
Journal of Chemical Physics, 2014, 141 (15), pp.154308. ⟨10.1063/1.4896607⟩
Article dans une revue hal-02042976v1
Image document

Adsorption of Helium on Small Cationic PAHs: Influence of Hydrocarbon Structure on the Microsolvation Pattern

Arne Schiller , Miriam Meyer , Paul Martini , Fabio Zappa , Serge Krasnokutski , et al.
Journal of Physical Chemistry A, 2021, 125 (36), pp.7813-7824. ⟨10.1021/acs.jpca.1c05150⟩
Article dans une revue hal-03854415v1

The Structure of Adamantane Clusters: Atomistic vs. Coarse-Grained Predictions From Global Optimization

Javier Hernández-Rojas , Florent Calvo
Frontiers in Chemistry, 2019, 7, ⟨10.3389/fchem.2019.00573⟩
Article dans une revue hal-02376843v1

Thermalization in a nanodroplet: H$^+$(CH$_3$OH)$_n$ versus H$^+$(H$_2$O)$_n$

T. Salbaing , L. Feketeová , Florent Calvo , B. Farizon , M. Farizon , et al.
13th European Conference on Atoms Molecules and Photons (ECAMP 2019), Apr 2019, Florence, Italy
Poster de conférence in2p3-02099649v1

Non-statistical evaporation from excited water cluster ions

T.D. Märk , F. Berthias , T. Salbaing , L. Feketeová , H. Abdoul-Carime , et al.
3rd International Workshop on Dissociative Electron Attachment, Apr 2018, Prague, Czech Republic
Poster de conférence in2p3-02098140v1

Impact of a hydrophobic ion on the early stage of atmospheric aerosol formation

Linda Feketeová , Paul Bertier , Thibaud Salbaing , Toshiyuki Azuma , Florent Calvo , et al.
Proc.Nat.Acad.Sci., 2019, pp.201911136. ⟨10.1073/pnas.1911136116⟩
Article dans une revue hal-02340285v1
Image document

Simulating the structural diversity of carbon clusters across the planar-to-fullerene transition

Maëlle Bonnin , Cyril Falvo , Florent Calvo , Thomas Pino , Pascal Parneix
Physical Review A, 2019, 99 (4), ⟨10.1103/PhysRevA.99.042504⟩
Article dans une revue hal-02336040v1

Statistical evaporation of rotating clusters. IV. Alignment effects in the dissociation of nonspherical clusters

P. Parneix , Florent Calvo
Journal of Chemical Physics, 2004, 121, pp.11088-11097
Article dans une revue hal-00128200v1

Sampling along reaction coordinates with the Wang-Landau method

Florent Calvo
Molecular Physics, 2002, 100 numéro 21, pp.3421-3427
Article dans une revue hal-00120676v1
Image document

A plausible molecular mechanism to explain near-infrared continuum emission: Recurrent fluorescence

O. Lacinbala , F. Calvo , E. Dartois , C. Falvo , P. Parneix , et al.
Astronomy and Astrophysics - A&A, 2023, 671, pp.A89. ⟨10.1051/0004-6361/202245421⟩
Article dans une revue hal-04088095v1
Image document

Communication: Kinetics of chemical ordering in Ag-Au and Ag-Ni nanoalloys

Florent Calvo , A. Fortunelli , F. Negreiros , D. Wales
Journal of Chemical Physics, 2013, 139 (11), pp.111102. ⟨10.1063/1.4821582⟩
Article dans une revue hal-03229803v1

Mapping the global minima of binary Morse clusters: The effects of range mismatch

F. Calvo , E. Yurtsever
Computational and Theoretical Chemistry, 2013, 1021, pp.7-15. ⟨10.1016/j.comptc.2013.05.014⟩
Article dans une revue hal-03066667v1

A simple but accurate potential for the naphthalene-argon complex: Applications to collisional energy transfer and matrix isolated IR spectroscopy

F. Calvo , Cyril Falvo , Pascal Parneix
Journal of Chemical Physics, 2013, 138 (3), pp.034305. ⟨10.1063/1.4773469⟩
Article dans une revue hal-03146534v1

Multiscale Dynamics of Cluster Fragmentation

Florent Calvo , David Bonhommeau , Pascal Parneix
Physical Review Letters, 2007, 99 (8), pp.083401. ⟨10.1103/PhysRevLett.99.083401⟩
Article dans une revue hal-00976736v1

Structure, stability, and infrared spectroscopy of (H(2)O)(n)NH(4)(+) clusters: A theoretical study at zero and finite temperature

Julie Douady , Florent Calvo , Fernand Spiegelman
Journal of Chemical Physics, 2008, 129 (15), pp.154305. ⟨10.1063/1.2987304⟩
Article dans une revue hal-00957870v1