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    Listar QF - Contribuciones a congresos científicos por título 
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      • 2D-Delocalized vs Confined Diradicals 

        Casado-Cordón, JuanAutoridad Universidad de Málaga (2019-07-17)
        Diradicals are beautiful chemical objects where the more basic and intricate aspects of the chemical bonding are revealed.1 Not this being important enough, nowadays, diradical-based substrates are becoming very appealing ...
      • About Helices and Solvents: VCD and more 

        Nieto-Ortega, Belén; Casado-Cordón, JuanAutoridad Universidad de Málaga; Ramírez, Francisco Javier (2017-03-10)
        Intermolecular forces drive self-organization of molecules, which is ultimately the origin of most the physical and chemical phenomena in Nature. Molecules able to interact themselves by non-covalent forces, as hydrogen ...
      • Analyzing thin film morphology by Resonance Raman spectroscopy 

        Ponce-Ortiz, RocíoAutoridad Universidad de Málaga; Harbuzaru, Alexandra; Gámez Valenzuela, Sergio; Ruíz-Delgado, María del CarmenAutoridad Universidad de Málaga; Wang, Yingfeng; Guo, Xugang[et al.] (2019-07-16)
        Polymeric organic thin film transistors (OFETs) and all-polymer bulk heterojunction solar cells (all-PCS), which are composed of a polymer donor and a polymer acceptor, have attracted considerable attention in the last ...
      • Bases espectroscópicas de la relación estructura-carácter birradical-propiedad en sistemas proaromáticos pi-conjugados derivados de p-QDM 

        Zafra-Paredes, Jose Luis; Casado-Cordón, JuanAutoridad Universidad de Málaga; López-Navarrete, Juan TeodomiroAutoridad Universidad de Málaga (2014-10-06)
        En esta comunicación se estudia, mediante diversos tipos de espectroscopias y haciendo hincapié en la espectroscopia Raman, el efecto que modificaciones estructurales como el aumento de la longitud de la cadena o la ...
      • Benzotrithiophenes vs. Benzo/Naptha-dithiophenes: The Effect of Star-Shaped versus Linear Conjugation on Their Electronic Structures 

        Arrechea-Marcos, Iratxe; Ponce-Ortiz, RocíoAutoridad Universidad de Málaga; Riaño, Alberto; Mayorga-Burruezo, Paula; Loser, S.; Mancheño, María José; Facchetti, Antonio; Marks, T.J.; Casado-Cordón, JuanAutoridad Universidad de Málaga; López-Navarrete, Juan TeodomiroAutoridad Universidad de Málaga; Segura, J.L.[et al.] (2015-07-30)
        Star-shaped complexes of π-conjugated chromophores are currently of great interest for use in optoelectronic devices.1 Recently, different planar central cores involving three thiophene rings fused to a benzenic ring (BTTs) ...
      • Cálculos DFT en materiales orgánicos conjugados: importancia en el análisis de los datos experimentales 

        González-Cano, Rafael C.; López-Navarrete, Juan TeodomiroAutoridad Universidad de Málaga; Ruíz-Delgado, María del CarmenAutoridad Universidad de Málaga (2017-12-22)
        Actualmente, y cada vez con mayor intensidad, los materiales orgánicos policonjugados se están erigiendo como la alternativa ecológica real al uso de silicio en materiales para dispositivos electrónicos. Este hecho se debe ...
      • Camouflaged Holes Assist Negative Charge Motion in Radical-Anion Molecular Wires 

        Mayorga-Burrezo, Paula; Franco, Carlos; Lloveras, Vega; Caballero, Ruben; Alcón, Isaac; Bromley, Stefan; Mas-Torrent, Marta; Langa, Fernando; López-Navarrete, Juan TeodomiroAutoridad Universidad de Málaga; Rovira, Concepciò; Casado-Cordón, JuanAutoridad Universidad de Málaga; Veciana, Jaume[et al.] (2016-10-06)
        Charge transfer in molecular wires over varying distances is a subject of great interest in the field of molecular electronics. By increasing the distance between the electroactive centers, transport mechanisms generally ...
      • Caracterización de sistemas basados en carbazol con transformación reversible entre birradical aislado y σ-agregados 

        Badía-Domínguez, María Irene; Gámez-Valenzuela, Sergio; Capel-Ferrón, Cristina; Ponce-Ortiz, RocíoAutoridad Universidad de Málaga; López-Navarrete, Juan TeodomiroAutoridad Universidad de Málaga; Hernández-Jolín, VíctorAutoridad Universidad de Málaga; Hartl, Frantisek; Li, Hongxiang; Ruíz-Delgado, María del CarmenAutoridad Universidad de Málaga[et al.] (2017-07-03)
        El desarrollo de la química de moléculas orgánicas π-conjugadas que tienen una capa de valencia que no está completamente llena, también conocidas como sistemas de capa abierta, ha atraído mucho interés en estos últimos ...
      • Carbazole and indolcarbazole-based systems: impact of the structural changes on the system properties 

        Badía-Domínguez, María Irene; Hartl, Frantisek; Li, Hongxiang; Seki, Shu; Sakamaki, Daisuke; Negri, Fabrizia; López Navarrete, Juan T.; Hernández-Jolín, VíctorAutoridad Universidad de Málaga; Ruíz-Delgado, María del CarmenAutoridad Universidad de Málaga[et al.] (2022)
        π-Conjugated diradical compounds, featuring unique unsaturated valences and radical centres in the ground state, are fundamentally important for understanding the nature of chemical bonds and have potential applications ...
      • Carbazole-based biradicaloids as potential building blocks for dynamic covalent chemistry 

        Ruíz-Delgado, María del CarmenAutoridad Universidad de Málaga (2018-12-18)
        Pi-conjugated biradical compounds become essential building blocks in DCC (dynamic covalent chemistry).1 This field is based on the creation of structural scaffolds based on chemical components which interact through strong ...
      • Chameleon-like behaviour of cyclo[n]paraphenylenes in complexes with C70: on their impressive electronic and structural adaptability as probed by Raman spectroscopy 

        Casado-Cordón, JuanAutoridad Universidad de Málaga (2014-09-11)
        A series of four 1:1 host-guest supramolecular complexes of [n]CPPs and C70 have been analyzed by Raman spectroscopy in solid state and complemented with the analysis of their spectroscopic responses under mechanical and ...
      • Charge transfer in the nanoscale and SERS: understanding the huge efficiency of the electrode potencial in tuning the CT states 

        Centeno-Benigno, Silvia Patricia Autoridad Universidad de Málaga; Ruano, Cristina; Roman-Perez, Jessica; López-Tocón, IsabelAutoridad Universidad de Málaga; Soto-Martín, JuanAutoridad Universidad de Málaga; Otero-Fernández-de-Molina, Juan CarlosAutoridad Universidad de Málaga[et al.] (2014-09-10)
        This work deals with the unexplained efficiency of the electrode potential in tuning the energy of the CT states of hybrid systems formed by molecules and metallic nano structures. Huge energy gain up to 5eV/V observed in ...
      • Charge Transfer mechanism in the Surface Enhanced Raman Scattering of 2,2'-bipyridine recorded on a silver electrode 

        Valdivia Mantas, Samuel; Aranda Ruiz, Daniel; López-Tocón, IsabelAutoridad Universidad de Málaga; Soto-Martín, JuanAutoridad Universidad de Málaga; Otero-Fernández-de-Molina, Juan CarlosAutoridad Universidad de Málaga; Ávila-Ferrer, Francisco JoséAutoridad Universidad de Málaga[et al.] (2018-07-17)
        Nowadays, Surface Enhanced Raman Spectroscopy (SERS) has become a powerful technique to investigate the electronic structure of surface-molecule hybrid systems due to the huge enhancement of the Raman signal. It is established ...
      • Chiroptical Spectroscopy of C3 Molecules 

        Nieto-Ortega, Belén; Casado-Cordón, JuanAutoridad Universidad de Málaga; López-Navarrete, Juan TeodomiroAutoridad Universidad de Málaga; Ramírez, Francisco Javier (2016-04-22)
        The relevance of molecules with C3 symmetry comes from the fact of many of them, upon assembling as columnar helical macromolecules, are ideal platform for electro-optical devices, for example as liquid crystals. The ...
      • Comparative study of different theoretical approaches for modeling the dependence of the SERS vibrational wavenumbers on the electrode potential 

        Aranda Ruiz, Daniel; Valdivia Mantas, Samuel; Soto-Martín, JuanAutoridad Universidad de Málaga; López-Tocón, IsabelAutoridad Universidad de Málaga; Ávila-Ferrer, Francisco JoséAutoridad Universidad de Málaga; Otero-Fernández-de-Molina, Juan CarlosAutoridad Universidad de Málaga[et al.] (2019-07-25)
        Surface-enhanced Raman scattering (SERS) is a powerful technique to study the electronic structure of charged metal-molecule interfaces, which are relevant in many fields like electrochemistry, heterogeneous catalysis or ...
      • Comparative Study of p-Aminothiophenol Adsorption by Surface-Enhanced Raman Spectroscopy 

        López-Ramírez, María RosaAutoridad Universidad de Málaga; Fernández, María de la Cabeza; Alvear-Fernández, Alexis; Contreras-Cáceres, Rafael (2023-03-28)
        The organic compound p-aminothiophenol (PATP, HS-Ph-NH2) has become very popular for checking the enhancement capability of novel substrates due to its very intense SERS spectra. SERS of PATP on metal nanoparticles is ...
      • Computational study of coronoid carbazole based Macrocycles: influence of isomerism. 

        Muñoz Alba, Fernando; Badía-Domínguez, María Irene; Sancho García, Juan Carlos; Ruiz-Delgado, María del CarmenAutoridad Universidad de Málaga (2023)
        Carbazole (Cz) units have been recognized as crucial conjugated cores in organic electronics due to their good electro- and photoactive properties, such as high hole-transporting mobilities, when compared to other heterocycles. ...
      • A computational study of the vibrationally-resolved electronic circular dichroism spectra of single-chain transoid and cisoid oligothiophenes in chiral conformations 

        Aranda Ruiz, Daniel; Cerezo Bastida, Javier; Pescitelli, Gennaro; Ávila-Ferrer, Francisco JoséAutoridad Universidad de Málaga; Soto-Martín, JuanAutoridad Universidad de Málaga; Santoro, Fabrizio[et al.] (2019-07-19)
        Chiral polythiophenes (PTs) are interesting as organic electronics materials because of their optoelectronic properties, which may arise from ordered supramolecular packings. Chiroptical techniques like ECD can detect these ...
      • Cyclic Triindoles and Tetraindoles: Substituent and Symmetry Effects on their Structural and Electronic Characteristics 

        Ruíz-Delgado, María del CarmenAutoridad Universidad de Málaga; Ruiz, Constanza; López-Navarrete, Juan TeodomiroAutoridad Universidad de Málaga; Gómez-Lor, Berta (2016-10-07)
        During the last decade heptacyclic 10,15-dihydro-5H-diindolo[3,2-a:3',2'-c]carbazole (triindole) has been extensively studied as a new π-conjugated platform in the construction of self-assembling materials for optoelectronics. ...
      • Cyclophane self-assembly from carbazole-based diradicals 

        Badía-Domínguez, María Irene; Hartl, Franktišek; Hongxiang, Li; Shu, Seki; López-Navarrete, Juan TeodomiroAutoridad Universidad de Málaga; Hernández-Jolín, VíctorAutoridad Universidad de Málaga; Ruíz-Delgado, María del CarmenAutoridad Universidad de Málaga[et al.] (2022-06-30)
        The investigation of π-conjugated diradical compounds, featuring radical centers in the ground state, is key to understanding the nature of chemical bonds.[1] Occasionally, these systems can form long σ C-C bonds between ...
        REPOSITORIO INSTITUCIONAL UNIVERSIDAD DE MÁLAGA
        REPOSITORIO INSTITUCIONAL UNIVERSIDAD DE MÁLAGA
         

         

        REPOSITORIO INSTITUCIONAL UNIVERSIDAD DE MÁLAGA
        REPOSITORIO INSTITUCIONAL UNIVERSIDAD DE MÁLAGA