List of works - Juan Aragó

A bis(triazole)benzamide receptor for the complexation of halide anions and neutral carboxylic acid guests. Guest-controlled topicity and self-assembly ⬇️

scientific article published on December 17, 2012

A columnar liquid crystal with permanent polar order

A very general rate expression for charge hopping in semiconducting polymers

scientific article published on 01 May 2015

Ab Initio Modeling of Donor–Acceptor Interactions and Charge-Transfer Excitations in Molecular Complexes: The Case of Terthiophene–Tetracyanoquinodimethane

scientific article published on 16 June 2011

Accurate Treatment of Large Supramolecular Complexes by Double-Hybrid Density Functionals Coupled with Nonlocal van der Waals Corrections

scientific article published on March 2015

Aromaticity of α-Oligothiophenes and Equivalent Oligothienoacenes

scientific article published on 01 July 2009

Bending Carbon Nanoforms for Supramolecular Recognition: A Topological Study on Hemifullerene-Based Aggregates

scientific article published on 21 December 2017

Bowl-shape electron donors with absorptions in the visible range of the solar spectrum and their supramolecular assemblies with C60

Carbonyl-Functionalized Quaterthiophenes: A Study of the Vibrational Raman and Electronic Absorption/Emission Properties Guided by Theoretical Calculations

scientific article published on 01 December 2011

Charge Dynamics in Organic Photovoltaic Materials: Interplay between Quantum Diffusion and Quantum Relaxation

Conjugated Porphyrin Dimers: Cooperative Effects and Electronic Communication in Supramolecular Ensembles with C60

scientific article published on 17 September 2016

Controlling the Host-Guest Interaction Mode through a Redox Stimulus

scientific article published on 30 October 2017

Cover Feature: Self-Assembly of Clicked Star-Shaped Triazines into Functional Nanostructures (ChemNanoMat 1/2019)

DLPNO-CCSD(T) scaled methods for the accurate treatment of large supramolecular complexes

scientific article published on 30 May 2017

Decoding the Consequences of Increasing the Size of Self-Assembling Tricarboxamides on Chiral Amplification

scientific article published on 23 April 2019

Dibenzoquinquethiophene- and Dibenzosexithiophene-Based Hole-Transporting Materials for Perovskite Solar Cells

Diferrocenyl oligothiophene wires: Raman and quantum chemical study of valence-trapped cations

scientific article published on 01 December 2011

Dual-Mode Chiral Self-Assembly of Cone-Shaped Subphthalocyanine Aromatics

scientific article published on 13 November 2020

Dynamics of the Excitonic Coupling in Organic Crystals

scientific article published in Physical Review Letters

Electron transfer in a supramolecular associate of a fullerene fragment

scientific article published on 22 January 2014

Excitonic couplings between molecular crystal pairs by a multistate approximation

scientific article published on 01 April 2015

Exploiting Multivalent Nanoparticles for the Supramolecular Functionalization of Graphene with a Nonplanar Recognition Motif

scientific article published on 17 June 2013

FT Raman and DFT study on a series of all-anti oligothienoacenes end-capped with triisopropylsilyl groups

scientific article published in December 2009

From linear quaterthiophene to sulflower: A comparative theoretical study

Frontispiece: Hierarchy of Asymmetry at Work: Chain-Dependent Helix-to-Helix Interactions in Supramolecular Polymers

Functionalized pentacenes: a combined theoretical, Raman and UV–Vis spectroscopic study

Helical supramolecular polymerization of C3-symmetric amides and retroamides: on the origin of cooperativity and handedness

scientific article published in 2016

Heteroatom Effect on Star-Shaped Hole-Transporting Materials for Perovskite Solar Cells

Hierarchy of Asymmetry at Work: Chain-Dependent Helix-to-Helix Interactions in Supramolecular Polymers

scientific article published on 16 January 2018

High Yield Ultrafast Intramolecular Singlet Exciton Fission in a Quinoidal Bithiophene

scientific article published in April 2015

High-Efficiency Perovskite Solar Cells Using Molecularly Engineered, Thiophene-Rich, Hole-Transporting Materials: Influence of Alkyl Chain Length on Power Conversion Efficiency

Hole transporting materials based on benzodithiophene and dithienopyrrole cores for efficient perovskite solar cells

Hole-Transporting Materials for Perovskite Solar Cells Employing an Anthradithiophene Core

scientific article

Impact of the Synergistic Collaboration of Oligothiophene Bridges and Ruthenium Complexes on the Optical Properties of Dumbbell-Shaped Compounds

scientific article published on 3 December 2012

In Silico Molecular Engineering of Dysprosocenium-Based Complexes to Decouple Spin Energy Levels from Molecular Vibrations

scientific article published on 02 December 2019

Isomerism effect on the photovoltaic properties of benzotrithiophene-based hole-transporting materials

Metal-Atom Impact on the Self-Assembly of Cup-and-Ball Metalloporphyrin-Fullerene Conjugates

scientific article published on 27 November 2014

Minimizing geminate recombination losses in small-molecule-based organic solar cells

Neutral and oxidized triisopropylsilyl end-capped oligothienoacenes: a combined electrochemical, spectroscopic, and theoretical study

scientific article published in May 2010

Non-Centrosymmetric Homochiral Supramolecular Polymers of Tetrahedral Subphthalocyanine Molecules

scientific article published on 19 January 2015

Non-covalent graphene nanobuds from mono- and tripodal binding motifs

Nonlocal van der Waals Approach Merged with Double-Hybrid Density Functionals: Toward the Accurate Treatment of Noncovalent Interactions

scientific article published on 24 July 2013

Non‐Planar and Flexible Hole‐Transporting Materials from Bis‐Xanthene and Bis‐Thioxanthene Units for Perovskite Solar Cells

Obtaining the lattice energy of the anthracene crystal by modern yet affordable first-principles methods

scientific article published on 01 May 2013

Oligothienoacenes versus oligothiophenes: impact of ring fusion on the optical properties

scientific article published in 2011

Photophysical Properties of Oligo(phenylene ethynylene) Iridium(III) Complexes Functionalized with Metal-Anchoring Groups

scholarly article by Julia Ponce et al published 21 March 2016 in European Journal of Inorganic Chemistry

Quantum-Chemical Insights into the Self-Assembly of Carbon-Based Supramolecular Complexes.

scientific article published on 7 January 2018

Regimes of Exciton Transport in Molecular Crystals in the Presence of Dynamic Disorder

Relationship between Electron Affinity and Half-Wave Reduction Potential: A Theoretical Study on Cyclic Electron-Acceptor Compounds

scientific article published on 5 September 2016

Saddle-like, π-conjugated, cyclooctatetrathiophene-based, hole-transporting material for perovskite solar cells

Self-Assembly of Clicked Star-Shaped Triazines into Functional Nanostructures

Synergy of Axial and Point Chirality to Construct Helical N -Heterotriangulene-Based Supramolecular Polymers

Synthesis and optoelectronic properties of chemically modified bi-fluorenylidenes

Tetrasubstituted Thieno[3,2-b]thiophenes as Hole-Transporting Materials for Perovskite Solar Cells

scientific article published on 13 December 2019

Tetrathiafulvalene-based mixed-valence acceptor-donor-acceptor triads: a joint theoretical and experimental approach.

scientific article published on 6 November 2013

Theoretical insights into the structural, electronic and optical properties of benzotrithiophene-based hole-transporting materials

Theoretical study of the benzoquinone–tetrathiafulvalene–benzoquinone triad in neutral and oxidized/reduced states

article published in 2013

Tuning the electronic properties and the planarity degree in the π-extended TTF series: the prominent role of heteroatoms

Tuning the optical and electronic properties of perylene diimides through transversal core extension

Tuning the self-assembly of rectangular amphiphilic cruciforms.