All Stories

  1. Optical properties of wine pigments: theoretical guidelines with new methodological perspectives

    Article • Tetrahedron, May 2015, Elsevier

    Dr mathieu Linares

  2. Transition fields in organic materials: From percolation to inverted Marcus regime. A consistent Monte Carlo simulation in disordered PPV

    Article • The Journal of Chemical Physics, March 2015, American Institute of Physics

    Dr mathieu Linares

  3. DNA Electronic Circular Dichroism on the Inter-Base Pair Scale: An Experimental–Theoretical Case Study of the AT Homo-Oligonucleotide

    Article • The Journal of Physical Chemistry Letters, February 2015, American Chemical Society (ACS)

    Dr mathieu Linares

  4. Binding modes of a core-extended metalloporphyrin to human telomeric DNA G-quadruplexes

    Article • Organic & Biomolecular Chemistry, January 2015, Royal Society of Chemistry

    Dr mathieu Linares

  5. Hierarchical Self-Assembly of Supramolecular Helical Fibres from AmphiphilicC3-Symmetrical Functional Tris(tetrathiafulvalenes)

    Article • Chemistry - A European Journal, October 2014, Wiley

    Dr mathieu Linares

  6. Toward a Molecular Understanding of the Detection of Amyloid Proteins with Flexible Conjugated Oligothiophenes

    Article • The Journal of Physical Chemistry A, October 2014, American Chemical Society (ACS)

    Dr mathieu Linares

  7. NHC Copper(I) Complexes Bearing Dipyridylamine Ligands: Synthesis, Structural, and Photoluminescent Studies

    Article • Inorganic Chemistry, September 2014, American Chemical Society (ACS)

    Dr mathieu Linares

  8. On the Photo-Induced Charge-Carrier Generation within Monolayers of Self-Assembled Organic Donor-Acceptor Dyads

    Article • Advanced Materials, August 2014, Wiley

    Dr mathieu Linares

  9. On the Interplay Between Chirality and Exciton Coupling: A DFT Calculation of the Circular Dichroism inπ-Stacked Ethylene

    Article • Chirality, May 2014, Wiley

    Dr mathieu Linares

  10. QM/MM-MD Simulations of Conjugated Polyelectrolytes: A Study of Luminescent Conjugated Oligothiophenes for Use as Biophysical Probes

    Article • The Journal of Physical Chemistry A, May 2014, American Chemical Society (ACS)

    Dr mathieu Linares

  11. Orthohalogen substituents dramatically enhance hydrogen bonding of aromatic ureas in solution

    Article • Chemical Communications, January 2014, Royal Society of Chemistry

    Laurent Bouteiller, Dr mathieu Linares, Professor Antonella Dalla Cort

  12. A combined MD/QM and experimental exploration of conformational richness in branched oligothiophenes

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Dr mathieu Linares

  13. Conformational Plasticity of Hydrogen Bonded Bis-urea Supramolecular Polymers

    Article • The Journal of Physical Chemistry B, May 2013, American Chemical Society (ACS)

    Dr mathieu Linares

  14. On the Influence of Water on the Electronic Structure of Firefly Oxyluciferin Anions from Absorption Spectroscopy of Bare and Monohydrated Ions in Vacuo

    Article • Journal of the American Chemical Society, May 2013, American Chemical Society (ACS)

    Dr mathieu Linares

  15. Monte Carlo simulations of charge transport in organic systems with true off-diagonal disorder

    Article • The Journal of Chemical Physics, September 2012, American Institute of Physics

    Dr mathieu Linares

  16. A simple polyol-free synthesis route to Gd2O3 nanoparticles for MRI applications: an experimental and theoretical study

    Article • Journal of Nanoparticle Research, July 2012, Springer Science + Business Media

    Dr mathieu Linares

  17. High Affinity of Water-Soluble Cryptophanes for Cesium Cations

    Article • The Journal of Organic Chemistry, January 2012, American Chemical Society (ACS)

    Dr mathieu Linares

  18. Phenylboronic Ester- and Phenylboronic Acid-Terminated Alkanethiols on Gold Surfaces

    Article • The Journal of Physical Chemistry C, January 2012, American Chemical Society (ACS)

    Dr mathieu Linares

  19. Electronic and vibrational circular dichroism spectroscopies for the understanding of chiral organization in porphyrin aggregates

    Article • Chemical Communications, January 2012, Royal Society of Chemistry

    Dr mathieu Linares

  20. Local contact potential difference of molecular self-assemblies investigated by Kelvin probe force microscopy

    Article • Frontiers in Human Neuroscience, December 2011, American Institute of Physics

    Dr mathieu Linares

  21. Influence of the Chemical Structure of Water-Soluble Cryptophanes on Their Overall Chiroptical and Binding Properties

    Article • The Journal of Organic Chemistry, October 2011, American Chemical Society (ACS)

    Dr mathieu Linares

  22. Hierarchical Chiral Expression from the Nano- to Mesoscale in Synthetic Supramolecular Helical Fibers of a Nonamphiphilic C 3 -Symmetrical π-Functional Molecule

    Article • Journal of the American Chemical Society, June 2011, American Chemical Society (ACS)

    Dr mathieu Linares

  23. Enantioselective Complexation of Chiral Propylene Oxide by an Enantiopure Water-Soluble Cryptophane

    Article • The Journal of Organic Chemistry, May 2011, American Chemical Society (ACS)

    Dr mathieu Linares

  24. Complex Polarization Propagator Approach in the Restricted Open-Shell, Self-Consistent Field Approximation: The Near K -Edge X-ray Absorption Fine Structure Spectra of Allyl and Copper Phthalocyanine

    Article • The Journal of Physical Chemistry B, May 2011, American Chemical Society (ACS)

    Dr mathieu Linares

  25. Conformational Effects Induced by Guest Encapsulation in an Enantiopure Water-Soluble Cryptophane

    Article • The Journal of Organic Chemistry, March 2011, American Chemical Society (ACS)

    Dr mathieu Linares

  26. Noradrenaline and a Thiol Analogue on Gold Surfaces: An Infrared Reflection−Absorption Spectroscopy, X-ray Photoelectron Spectroscopy, and Near-Edge X-ray Absorption Fine Structure Spectroscopy Study

    Article • The Journal of Physical Chemistry C, January 2011, American Chemical Society (ACS)

    Dr mathieu Linares

  27. Molecular dynamics effects on luminescence properties of oligothiophene derivatives: a molecular mechanics–response theory study based on the CHARMM force field and density functional theory

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Dr mathieu Linares

  28. Tuning the Supramolecular Chirality of One- and Two-Dimensional Aggregates with the Number of Stereogenic Centers in the Component Porphyrins

    Article • Journal of the American Chemical Society, July 2010, American Chemical Society (ACS)

    Dr mathieu Linares

  29. Platinum(II) and Phosphorus MM3 Force Field Parametrization for Chromophore Absorption Spectra at Room Temperature

    Article • The Journal of Physical Chemistry A, April 2010, American Chemical Society (ACS)

    Dr mathieu Linares

  30. On the Interface Dipole at the Pentacene−Fullerene Heterojunction: A Theoretical Study

    Article • The Journal of Physical Chemistry C, February 2010, American Chemical Society (ACS)

    Dr mathieu Linares

  31. Chirality in Dynamic Supramolecular Nanotubes Induced by a Chiral Solvent

    Article • Chemistry - A European Journal, January 2010, Wiley

    Dr mathieu Linares

  32. Electronic Structure and Geminate Pair Energetics at Organic–Organic Interfaces: The Case of Pentacene/C60Heterojunctions

    Article • Advanced Functional Materials, December 2009, Wiley

    Dr mathieu Linares

  33. Probing the Local Conformation within π-Conjugated One-dimensional Supramolecular Stacks using Frequency Modulation Atomic Force Microscopy

    Article • Advanced Materials, November 2009, Wiley

    Dr mathieu Linares

  34. The effect of lattice dynamics on electron localization in poly-(para-phenylenevinylene)

    Article • Synthetic Metals, November 2009, Elsevier

    Dr mathieu Linares

  35. Pi-Conjugated Molecular Nanowire Stacks Investigated by Frequency-Modulation Atomic Force Microscopy in the qPlus Configuration

    Article • Applied Physics Express, September 2009, Institute of Physics Publishing

    Dr mathieu Linares

  36. Dynamics of molecular self-ordering in tetraphenyl porphyrin monolayers on metallic substrates

    Article • Nanotechnology, June 2009, Institute of Physics Publishing

    Dr Paul Kouwer, Dr mathieu Linares

  37. Two-Leg Molecular Ladders Formed by Hierarchical Self-Assembly of an Organic Radical

    Article • Journal of the American Chemical Society, April 2009, American Chemical Society (ACS)

    Professor Shuhei Furukawa, Dr mathieu Linares

  38. Engineering the Cavity of Self-Assembled Dynamic Nanotubes

    Article • The Journal of Physical Chemistry B, March 2009, American Chemical Society (ACS)

    Dr mathieu Linares

  39. Effects of π-stacking interactions on the near carbon K-edge x-ray absorption fine structure: A theoretical study of the ethylene pentamer and the phthalocyanine dimer

    Article • The Journal of Chemical Physics, March 2009, American Institute of Physics

    Dr mathieu Linares

  40. Expression of chirality in molecular layers at surfaces: insights from modelling

    Article • Chemical Society Reviews, January 2009, Royal Society of Chemistry

    Dr mathieu Linares

  41. Adsorption and conformation of porphyrins on metallic surfaces

    Article • January 2009, American Vacuum Society

    Dr mathieu Linares

  42. The Nature of Resonance in Allyl Ions and Radical †

    Article • The Journal of Physical Chemistry A, December 2008, American Chemical Society (ACS)

    Dr mathieu Linares

  43. Self-assembly of a chiral porphyrin at surfaces

    Article • Superlattices and Microstructures, October 2008, Elsevier

    Dr mathieu Linares

  44. Chiral Expression at the Solid−Liquid Interface: A Joint Experimental and Theoretical Study of the Self-Assembly of Chiral Porphyrins on Graphite

    Article • Langmuir, September 2008, American Chemical Society (ACS)

    Dr mathieu Linares

  45. Structure and Dynamics of a Bisurea-Based Supramolecular Polymer in n -Dodecane

    Article • The Journal of Physical Chemistry B, July 2008, American Chemical Society (ACS)

    Dr mathieu Linares

  46. Monolayer self-assembly at liquid–solid interfaces: chirality and electronic properties of molecules at surfaces

    Article • Journal of Physics Condensed Matter, April 2008, Institute of Physics Publishing

    Dr Josep Puigmarti-Luis, Dr mathieu Linares

  47. Electronic polarization effects on charge carriers in anthracene: A valence bond study

    Article • Physical Review B, March 2008, American Physical Society (APS)

    Dr mathieu Linares

  48. Valence Bond Approach of Metal−Ligand Bonding in the Dewar−Chatt−Duncanson Model

    Article • Inorganic Chemistry, December 2007, American Chemical Society (ACS)

    Dr mathieu Linares

  49. Quantifying resonance through a Lewis Valence Bond approach: application to haloallyl and carbonylcations

    Article • Faraday Discussions, January 2007, Royal Society of Chemistry

    Dr mathieu Linares

  50. Lewis-Based Valence Bond Scheme:  Application to the Allyl Cation

    Article • The Journal of Physical Chemistry A, February 2006, American Chemical Society (ACS)

    Dr mathieu Linares

  51. Theoretical study of the intramolecular CH/π interaction effect on rotation energy barriers in 1-pentene, 2,2′-diisopropyl biphenyl and some amino and nitro derivatives

    Article • Journal of Molecular Structure THEOCHEM, July 2004, Elsevier

    Dr mathieu Linares