Publicaciones en colaboración con investigadores/as de Instituto de Ciencia de Materiales de Madrid (13)

2021

  1. Exploring the Photocyclization Pathways of Styrylthiophenes in the Synthesis of Thiahelicenes: When the Theory and Experiment Meet

    Journal of Organic Chemistry, Vol. 86, Núm. 8, pp. 5668-5679

2019

  1. Characterization of Main Phase in Kxp-Terphenyl and Its Largest Congener Kxpoly(p-phenylene): A Report of Their Magnetic and Electric Properties

    Journal of Physical Chemistry C, Vol. 123, Núm. 9, pp. 5264-5272

  2. Gap opening in the most stable phases of K3 Terphenyl compound

    Materials Research Express, Vol. 6, Núm. 12

2018

  1. Density Functional Theory Modeling of Solid-State Nuclear Magnetic Resonances for Polycyclic Aromatic Hydrocarbons

    Journal of Physical Chemistry C, Vol. 122, Núm. 20, pp. 11008-11014

  2. Prediction of a metallic phase for Cs3Pentacene compound

    Materials Research Express, Vol. 5, Núm. 6

2017

  1. Structural and electronic changes of pentacene induced by potassium doping

    Physical Review B, Vol. 95, Núm. 13

2016

  1. Herringbone Pattern and CH–π Bonding in the Crystal Architecture of Linear Polycyclic Aromatic Hydrocarbons

    ChemPhysChem, Vol. 17, Núm. 21, pp. 3548-3557

2014

  1. Role of potassium orbitals in the metallic behavior of K3 picene

    Physical Review B - Condensed Matter and Materials Physics, Vol. 90, Núm. 3

2013

  1. Exponential decay of spin-spin correlation between distant defect states produced by contour hydrogenation of polycyclic aromatic hydrocarbon molecules

    Physical Review B - Condensed Matter and Materials Physics, Vol. 87, Núm. 12

2012

  1. Spin alignment of extra electrons in K-phenanthrene clusters taken from the crystalline tripotassium-intercalated phenanthrene structure

    Physical Review B - Condensed Matter and Materials Physics, Vol. 85, Núm. 16

2011

  1. Ab initio electronic and geometrical structures of tripotassium- intercalated phenanthrene

    Physical Review B - Condensed Matter and Materials Physics, Vol. 84, Núm. 14

  2. Crystal structure and electronic states of tripotassium picene

    Physical Review B - Condensed Matter and Materials Physics, Vol. 83, Núm. 24

  3. PPP Hamiltonian for polar polycyclic aromatic hydrocarbons

    European Physical Journal B, Vol. 81, Núm. 2, pp. 253-262