Facultad de Química
Centro
Claude Bernard University Lyon 1
Villeurbanne, FranciaPublicaciones en colaboración con investigadoras/es de Claude Bernard University Lyon 1 (21)
2024
2023
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One Step Closer to Coatings Applications Utilizing Self-Stratification: Effect of Rheology Modifiers
ACS Applied Polymer Materials, Vol. 5, Núm. 8, pp. 6672-6684
2016
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Unveiling nickelocene bonding to a noble metal surface
Physical Review B, Vol. 93, Núm. 19
2015
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Assembly of ferrocene molecules on metal surfaces revisited
Journal of Physical Chemistry Letters, Vol. 6, Núm. 3, pp. 395-400
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Insights into colour-tuning of chlorophyll optical response in green plants
Physical Chemistry Chemical Physics, Vol. 17, Núm. 40, pp. 26599-26606
2014
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Local versus global electronic properties of chalcopyrite alloys: X-ray absorption spectroscopy and ab initio calculations
Journal of Applied Physics, Vol. 116, Núm. 9
2013
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Atomic and electronic properties of quasi-one-dimensional MoS2 nanowires
Journal of Materials Research, Vol. 28, Núm. 2, pp. 240-249
2012
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Ab initio angle- and energy-resolved photoelectron spectroscopy with time-dependent density-functional theory
Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 85, Núm. 6
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Fundamentals of time-dependent density functional theory
Lecture Notes in Physics, Vol. 837, pp. 1-559
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Time-dependent density-functional theory in massively parallel computer architectures: The octopus project
Journal of Physics Condensed Matter, Vol. 24, Núm. 23
2011
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Attosecond control of dissociative ionization of O 2 molecules
Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 84, Núm. 6
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Density functional theory beyond the linear regime: Validating an adiabatic local density approximation
Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 83, Núm. 3
2010
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Synthesis of room temperature self-curable waterborne hybrid polyurethanes functionalized with (3-aminopropyl)triethoxysilane (APTES)
Polymer, Vol. 51, Núm. 22, pp. 5051-5057
2009
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Photoabsorption spectra of small cationic xenon clusters from time-dependent density functional theory
Journal of Chemical Physics, Vol. 131, Núm. 21
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The challenge of predicting optical properties of biomolecules: What can we learn from time-dependent density-functional theory?
Comptes Rendus Physique
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Time-dependent density-functional theory
Physical Chemistry Chemical Physics
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Towards a gauge invariant method for molecular chiroptical properties in TDDFT
Physical Chemistry Chemical Physics, Vol. 11, Núm. 22, pp. 4481-4489
2008
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Cluster-surface and cluster-cluster interactions: Ab initio calculations and modeling of asymptotic van der Waals forces
Physical Review B - Condensed Matter and Materials Physics, Vol. 78, Núm. 3
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The role of dimensionality on the quenching of spin-orbit effects in the optics of gold nanostructures
Journal of Chemical Physics, Vol. 129, Núm. 14
1997
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From the superparamagnetic to the magnetically ordered state in systems of transition metal clusters embedded in matrices
Journal of Magnetism and Magnetic Materials, Vol. 165, Núm. 1-3, pp. 42-45