Publicaciones en colaboración con investigadoras/es de Claude Bernard University Lyon 1 (24)

2023

  1. One Step Closer to Coatings Applications Utilizing Self-Stratification: Effect of Rheology Modifiers

    ACS Applied Polymer Materials, Vol. 5, Núm. 8, pp. 6672-6684

2019

  1. Nine questions on energy decomposition analysis

    Journal of Computational Chemistry, Vol. 40, Núm. 26, pp. 2248-2283

2016

  1. Unveiling nickelocene bonding to a noble metal surface

    Physical Review B, Vol. 93, Núm. 19

2015

  1. Assembly of ferrocene molecules on metal surfaces revisited

    Journal of Physical Chemistry Letters, Vol. 6, Núm. 3, pp. 395-400

  2. Insights into colour-tuning of chlorophyll optical response in green plants

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 40, pp. 26599-26606

2014

  1. 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

  1. Atomic and electronic properties of quasi-one-dimensional MoS2 nanowires

    Journal of Materials Research, Vol. 28, Núm. 2, pp. 240-249

2012

  1. 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

  2. Fundamentals of time-dependent density functional theory

    Lecture Notes in Physics, Vol. 837, pp. 1-559

  3. Time-dependent density-functional theory in massively parallel computer architectures: The octopus project

    Journal of Physics Condensed Matter, Vol. 24, Núm. 23

2011

  1. Attosecond control of dissociative ionization of O 2 molecules

    Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 84, Núm. 6

  2. 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

  3. Structural and catalytic properties of lanthanide (La, Eu, Gd) doped ceria

    Journal of Solid State Chemistry, Vol. 184, Núm. 11, pp. 3014-3020

2010

  1. Discontinuities of the chemical potential in reduced density matrix functional theory

    Zeitschrift fur Physikalische Chemie, Vol. 224, Núm. 3-4, pp. 467-480

  2. Synthesis of room temperature self-curable waterborne hybrid polyurethanes functionalized with (3-aminopropyl)triethoxysilane (APTES)

    Polymer, Vol. 51, Núm. 22, pp. 5051-5057

2009

  1. Photoabsorption spectra of small cationic xenon clusters from time-dependent density functional theory

    Journal of Chemical Physics, Vol. 131, Núm. 21

  2. The challenge of predicting optical properties of biomolecules: What can we learn from time-dependent density-functional theory?

    Comptes Rendus Physique

  3. Time-dependent density-functional theory

    Physical Chemistry Chemical Physics

  4. Towards a gauge invariant method for molecular chiroptical properties in TDDFT

    Physical Chemistry Chemical Physics, Vol. 11, Núm. 22, pp. 4481-4489

2008

  1. 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