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Slow dynamics in glass-forming materials
Frederic Affouard
,
Patrice Bordat
,
Adrien Lerbret
,
Marc Descamps
Article dans une revue
hal-00514999v1
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Exploring conformational energy landscape of glassy disaccharides by CPMAS 13C NMR and DFT/GIAO simulations. I. Methodological aspects.
Ronan Lefort
,
Patrice Bordat
,
Attilio Cesaro
,
Marc Descamps
Article dans une revue
hal-00080174v1
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Molecular dynamics simulation and Raman scattering study of lysozyme in disaccharide aqueous solutions
Adrien Lerbret
,
Frederic Affouard
,
Alain Hédoux
,
Yannick Guinet
,
Marc Descamps
,
et al.
Frontiers in Water Biophysics 2010, May 2010, Trieste, Italy
Communication dans un congrès
hal-02318463v1
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Molecular dynamics simulations of lysozyme in water/sugar solutions
Adrien Lerbret
,
Frederic Affouard
,
Patrice Bordat
,
Alain Hédoux
,
Y. Guinet
,
et al.
Article dans une revue
istex
hal-01567171v1
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Coherent Electronic Coupling versus Localization in Individual Molecular Dimers
M. Lippitz
,
C.G. Hübner
,
T. Christ
,
H. Eichner
,
Patrice Bordat
,
et al.
Article dans une revue
hal-01567185v1
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Host and adsorbate dynamics in silicates with flexible frameworks: Empirical force field simulation of water in silicalite
Patrice Bordat
,
Pierre-André Cazade
,
Isabelle Baraille
,
Ross Brown
Article dans une revue
hal-03225305v1
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Possible Artifacts of Fluorescence of Dyes in Concentrated Materials: Comment on “Highly Fluorescent Rhodamine B Nanoparticles Entrapped in Hybrid Glasses”
Pierre-André Cazade
,
Patrice Bordat
,
Sylvie Blanc
,
Isabelle Baraille
,
Ross Brown
Article dans une revue
istex
hal-03227498v1
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Biopreservation and homogeneity of sugar/water matrices: A comparative study by molecular modelling
Frederic Affouard
,
Adrien Lerbret
,
Patrice Bordat
,
Michel Descamps
Communication dans un congrès
hal-01567176v1
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An improved dimethyl sulfoxide force field for molecular dynamics simulations
Patrice Bordat
,
J. Sacristan
,
D. Reith
,
S. Girard
,
A. Glättli
,
et al.
Article dans une revue
istex
hal-01567186v1
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Crystal Structure of an Indigo@Silicalite Hybrid Related to the Ancient Maya Blue Pigment
Catherine Dejoie
,
Pauline Martinetto
,
Nobumichi Tamura
,
Martin Kunz
,
Florence Porcher
,
et al.
Article dans une revue
hal-01430958v1
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The IR spectrum of supercritical water: Combined molecular dynamics/quantum mechanics strategy and force field for cluster sampling
Patrice Bordat
,
Didier Bégué
,
Ross Brown
,
Alain Marbeuf
,
Henri Cardy
,
et al.
Article dans une revue
hal-00713263v1
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Exploring conformational energy landscape of glassy disaccharides by CPMAS 13C NMR and DFT/GIAO simulations. II. Enhanced molecular flexibility in amorphous trehalose.
Ronan Lefort
,
Patrice Bordat
,
Attilio Cesaro
,
Marc Descamps
Article dans une revue
hal-00080175v1
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Influence of homologous disaccharides on the hydrogen-bond network of water: Complementary Raman scattering experiments and molecular dynamics simulations
Adrien Lerbret
,
Patrice Bordat
,
Frederic Affouard
,
Y. Guinet
,
Alain Hédoux
,
et al.
Article dans une revue
istex
hal-01567179v1
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Molecular mechanisms of photo-induced spectral diffusion of single terrylene molecules in p terphenyl
Patrice Bordat
,
Ross Brown
Article dans une revue
hal-01550805v1
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Extensions of the Siesta DFT Code for Simulation of Molecules
Olivier Coulaud
,
Patrice Bordat
,
Pierre Fayon
,
Vincent Le Bris
,
Isabelle Baraille
,
et al.
[Research Report] RR-8221, INRIA. 2013, pp.25
Rapport
hal-00787088v1
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Correspondence between electronic origins and substitution sites in pentacene/p-terphenyl mixed crystals by molecular modelling
P. Bordat
,
R. Brown
Article dans une revue
istex
hal-01550260v1
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Revisiting the photophysics and photochemistry of methylene violet (MV)
F. Ronzani
,
A. Trivella
,
Patrice Bordat
,
Sylvie Blanc
,
Sylvie Lacombe-Lhoste
Article dans une revue
hal-01458710v1
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DL_POLY_2 adaptations for solvation studies
P-A Cazade
,
Patrice Bordat
,
Isabelle Baraille
,
Ross Brown
,
W Smith
,
et al.
Article dans une revue
hal-03225298v1
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How do trehalose, maltose, and sucrose influence some structural and dynamical properties of lysozyme? Insight from molecular dynamics simulations
Adrien Lerbret
,
Patrice Bordat
,
Frederic Affouard
,
Alain Hédoux
,
Y. Guinet
,
et al.
Article dans une revue
hal-01567173v1
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The breakdown of the Stokes-Einstein relation in supercooled binary liquids
Patrice Bordat
,
Frederic Affouard
,
Michel Descamps
,
F. Müller-Plathe
Article dans une revue
hal-01567187v1
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Comparative study of trehalose, sucrose and maltose in water solutions by molecular modelling
Patrice Bordat
,
Adrien Lerbret
,
J.-P. Demaret
,
Frederic Affouard
,
Michel Descamps
Article dans une revue
hal-01567183v1
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Watching the photo-oxidation of a single aromatic hydrocarbon molecule
T. Christ
,
F. Kulzer
,
Patrice Bordat
,
Thomas Basche
Article dans une revue
istex
hal-01567191v1
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Structure and dynamics of AIPO4-5 and other aluminophosphates: Classical molecular dynamics and ab initio calculations
Patrice Bordat
,
J. Kirstein
,
P. Labéguerie
,
M. Merawa
,
Ross Brown
Article dans une revue
istex
hal-01567172v1
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Sugar bioprotective effects on thermal denaturation of lysozyme: Insights from Raman scattering experiments and molecular dynamics simulation
R. Ionov
,
Alain Hédoux
,
Y. Guinet
,
Patrice Bordat
,
Adrien Lerbret
,
et al.
Article dans une revue
istex
hal-01567178v1
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Structure and molecular dynamics of crystalline and liquid anthracene and naphthalene: Possible transient rotator phase of naphthalene
Patrice Bordat
,
Ross Brown
Article dans une revue
hal-01567168v1
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Slowing down of water dynamics in disaccharide aqueous solutions
Adrien Lerbret
,
Frederic Affouard
,
Patrice Bordat
,
Alain Hédoux
,
Y. Guinet
,
et al.
Article dans une revue
hal-01567167v1
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Does the interaction potential determine both the fragility of a liquid and the vibrational properties of its glassy state?
Patrice Bordat
,
Frederic Affouard
,
Michel Descamps
,
K.L. Ngai
Article dans une revue
hal-01567184v1
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Mitochondrial membrane potential (DeltaPsi) and Ca2+-induced differentiation in HaCaT keratinocytes
F. Savignan
,
Bérangère Ballion
,
M. Odessa
,
M. Charveron
,
P. Bordat
,
et al.
Article dans une revue
hal-02484663v1
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Selective, direct detection of acetylcholine in PBS solution, with self-assembled fluorescent nano-particles: experiment and modelling.
Lisa Erieau-Peyrard
,
Claire Coiffier
,
Patrice Bordat
,
Didier Bégué
,
Sabine Chierici
,
et al.
Article dans une revue
hal-01536058v1
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Molecular dynamics investigations of glassforming binary Lennard-Jones systems with different anharmonicities
Patrice Bordat
,
Frederic Affouard
,
Michel Descamps
,
K.L. Ngai
Article dans une revue
istex
hal-01567177v1
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