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hal-00184763v1  Journal articles
Falk Richter, Fabien Gatti, Céline Léonard, F. Le Quere, Hans-Dieter Meyer. Time-dependent wave packet study on trans-cis isomerization of HONO driven by an external field
Journal of Chemical Physics, American Institute of Physics, 2007, 127, pp.164315. ⟨10.1063/1.2784553⟩
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hal-00749274v2  Conference papers
T. Tung Pham, Quy-Dong To, Guy Lauriat, Céline Léonard, V. H. Vo. Temperature, surface roughness and anisotropy effects on the tangential momentum accomodation coefficient between Pt(100) AND Ar
3 rd European Conference on Microfluidics - Microfluidics 2012 - Heidelberg, December 3-5, 2012, Dec 2012, Germany. pp.1
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hal-00749274v1  Directions of work or proceedings
T. Tung Pham, Quy-Dong To, Guy Lauriat, Céline Léonard, V. H. Vo. Temperature, surface roughness and anisotropy effects on the tangential momentum accomodation coefficient between Pt(100) AND Ar
Proceedings of the 3 rd European Conference on Microfluidics - Microfluidics 2012 - Heidelberg, December 3-5, 2012, pp.12, 2012
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hal-00749278v1  Journal articles
T. Tung Pham, Quy-Dong To, Guy Lauriat, Céline Léonard, V. H. Vo. Effects of surface morphology and anisotropy on the tangential momentum accommodation coefficient between Pt(100) and Ar
Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, American Physical Society, 2012, 86 (5), pp.051201
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hal-01081737v1  Journal articles
Romuald Poteau, Gilberte Chambaud, S. Antonczak. Chimie théorique : les défis d'une filière de formation à faibles effectifs
L'Actualité Chimique, Société chimique de France, 2014, Février-Mars 2014 (382-383), pp.8
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hal-00832556v1  Conference papers
J. Jiang, Marius Lewerenz. Quantum Simulation of Mg$^+$He$_n$ and Ar$^+$He$_n$ Clusters
17th Symposium on Atomic and Surface Physics and Related Topics (SASP 2010), Jan 2010, Obergurgl, Austria. pp.185-188
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hal-00832982v1  Other publications
Marius Lewerenz. Stability, structure and dynamics of doped helium clusters from accurate quantum simulations
2013
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hal-00832967v1  Other publications
Marius Lewerenz. Quantum Monte Carlo calculations on open shell species inside helium clusters
2013
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hal-01081750v1  Conference papers
Gilberte Chambaud. Non-reactive interaction of molecules with a surface: cluster or periodic approach?
International Symposium on CO2 capture, Majdi Hochlaf, Sep 2013, Champs sur Marne, France
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tel-00462184v1  Theses
Shinsuke Hayashi. Theoretical study of electronic structure and spectroscopy of molecules containing metallic atoms
Other. Université Paris-Est, 2008. English. ⟨NNT : 2008PEST0216⟩
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hal-00711329v1  Journal articles
Julien Yvonnet, Alexander O. Mitrushchenkov, Gilberte Chambaud, Qi-Chang He, S.-T. Gu. Characterization of surface and nonlinear elasticity in wurtzite ZnO nanowires
Journal of Applied Physics, American Institute of Physics, 2012, 111 (-), pp.124305. ⟨10.1063/1.4729545⟩
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hal-01081755v1  Conference papers
Gilberte Chambaud, Alexander O. Mitrushchenkov, Julien Yvonnet. Elastic and piezoelectric properties of nanowires: from atoms to continuum,from chemistry to mechanics
Recent advances in Material Science” CCS-SCF meeting, Oct 2013, Paris, France
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hal-00750630v1  Journal articles
M. Mladenovic. Vibrational calculation for the HOCO radical and the cis-HOCO anion
Journal of Chemical Physics, American Institute of Physics, 2012, 137 (1), pp.014306
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hal-00750850v1  Journal articles
M. Mladenovic, Marius Lewerenz, G. Cilpa, P. Rosmus, Gilberte Chambaud. Exploration of the NH3-H2 van der Waals interaction by high level ab initio calculations
Chemical Physics, Elsevier, 2008, 346 (1-3), pp.237. ⟨10.1016/j.chemphys.2008.03.004⟩
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hal-00770998v1  Journal articles
M.T. Hoang, Julien Yvonnet, Alexander O. Mitrushchenkov, Gilberte Chambaud. First-principles based multiscale model of piezoelectric nanowires with surface effects
Journal of Applied Physics, American Institute of Physics, 2013, 113 (1), pp.014309. ⟨10.1063/1.4773333⟩
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tel-00968128v1  Theses
Kévin Mathivon. Étude théorique de l'interaction molécule - substrat
Autre. Université Paris-Est, 2013. Français. ⟨NNT : 2013PEST1125⟩
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hal-00830365v1  Journal articles
S. Wong, D. Benoit, Marius Lewerenz, A. Brown, P.-N. Roy. Determination of molecular vibrational state energies using the ab initio semiclassical initial value representation: Application to formaldehyde
Journal of Chemical Physics, American Institute of Physics, 2011, 134, pp.094110. ⟨10.1063/1.3553179⟩
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hal-00592702v1  Conference papers
Julien Yvonnet, Alexander O. Mitrushchenkov, Gilberte Chambaud, Qi-Chang He. Multiscale modeling of crystalline nanostructures
10e colloque national en calcul des structures, May 2011, Giens, France. pp.Clé USB
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hal-00830349v1  Journal articles
P. Slavícek, Marius Lewerenz. Snowballs, quantum solvation and coordination: lead ions inside small helium droplets
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2010, 12, pp.1152-1161. ⟨10.1039/b918186e⟩
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hal-00832918v1  Other publications
Marius Lewerenz. Quantum simulations of helium clusters with ionic and open shell dopants
2013
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hal-00813013v1  Conference papers
Houriez Céline, Alexander O. Mitrushchenkov, Marie Guitou, Gilberte Chambaud. Spectroscopy of H2 physisorbed on a Cu(100) surface
CODECS- Workshop, Apr 2013, MADRID, Spain
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hal-00789756v1  Journal articles
Gilberte Chambaud, B. Diers. Des laboratoires de chimie de plus en plus surs : une priorité pour le CNRS
L'Actualité Chimique, Société chimique de France, 2010, 341 (1), pp.26
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hal-00725390v1  Journal articles
Julien Yvonnet, Alexander O. Mitrushchenkov, Gilberte Chambaud, Qi-Chang He. Finite element model of ionic nanowires with size-dependent mechanical properties determined by ab initio calculations
Computer Methods in Applied Mechanics and Engineering, Elsevier, 2011, 200 (5-8), pp.614-625. ⟨10.1016/j.cma.2010.09.007⟩
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tel-01126843v1  Theses
Minh Tuan Hoang. Modélisation et simulation multi échelle des effets de taille et des couplages électromécaniques dans les nanostructures
Autre. Université Paris-Est, 2014. Français. ⟨NNT : 2014PEST1074⟩
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hal-01078652v1  Journal articles
David A. Bonhommeau, Marius Lewerenz, Marie-Pierre Gaigeot. MCMC2 (version 1.1): A Monte Carlo code for multiply-charged clusters
Computer Physics Communications, Elsevier, 2014, 185 (3), pp.1188-1191. ⟨10.1016/j.cpc.2013.09.026⟩
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hal-01081746v1  Conference papers
Gilberte Chambaud, Alexander O. Mitrushchenkov, Houriez Céline, Marie Guitou, E. Bernard. Ro-vibrational spectroscopy in reduced dimensionality of physisorbed H2 molecules on a metallic surface (Ag, Cu)
Workshop HeSSSMe 2014, Pilar de Lara Castells, Oct 2014, Madrid, Spain
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hal-00750634v1  Journal articles
M. Mladenovic, M. Elhiyani, Marius Lewerenz. Quasilinearity in tetratomic molecules: An ab initio study of the CHNO family
Journal of Chemical Physics, American Institute of Physics, 2009, 130 (15), pp.154109. ⟨10.1063/1.3111810⟩
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tel-01136977v1  Theses
Mohamed Achref Gannouni. Approche théorique des collisions réactives de type ion-molécule
Modélisation et simulation. Université Paris-Est, 2014. Français. ⟨NNT : 2014PEST1108⟩
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hal-01081752v1  Conference papers
Gilberte Chambaud, E. Bernard, C. Houriez, Alexander O. Mitrushchenkov, Marie Guitou. Spectroscopy of physisorbed molecules
Advances in Computational Spectroscopy CODECS 2014, Miroslav Medlev, Oct 2014, Bratislava, Slovakia
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tel-00584392v1  Theses
Mohamed Elhiyani. Study of helium clusters doped with alkaline-earth metals
Other. Université Paris-Est, 2009. English. ⟨NNT : 2009PEST1033⟩