Listar QF - Contribuciones a congresos científicos por título
Mostrando ítems 43-62 de 126
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Impact of the dicyanomethylene substitution position on the cyclophane macrocycle formation in carbazole-based biradicals
(2019-01-16)π-Conjugated biradical compounds, featuring unique unsaturated valences and radical centers in the ground state, are fundamentally important for understanding the nature of chemical bonds and have potential applications ... -
Impact of the Intermolecular Interactions on the Electronic and Charge-Transport Properties of Organic Materials: A Joint Experimental and Theoretical Approach
(2018-01-15)The use of organic materials to design electronic devices has actually presented a broad interest because they constitute an ecological and suitable resource for our current "electronic world". These materials provide ... -
Improved prediction of the optical properties in pi-conjugated polymers: the case of benzochalcogenodiazole-based copolymers with different heteroatom substitution
(2019-01-16)Donor−acceptor (D−A) approach to conjugated polymer design has become a widely used method for preparing conjugated polymers with narrow band gaps.1 One outstanding D−A polymer is poly(cyclopentadithiophene)benzothiadiazole, ... -
Influencia de la Atropoisomería en la Organización Helicoidal de Organogeles en oligo-p-fenilenos
(Real Sociedad Española de Quimica, 2013-09-04) -
Interaction effects of fermentation time and sourdough content on the size and acidity in bread
(2020-10-16)The use of sourdough to provide certain physical, organoleptic and nutritional properties to bread is one of the most used biotechnological processes in the production of cereal-based foods. Sourdough, yeast and fermentation ... -
Investigaciones arqueométricas en las cuevas de Ardales y Las Palomas de Teba (Comarca del Guadalteba, Málaga)
(2014-10-14)We have performed a Raman miscroscopic analysis of a series of prehistoric artifacs found inside the Ardales Cave (Ardales, Málaga, Spain), such as a number of fixed and portable fat-burning stone lamps, some lithic tools ... -
Investigating Piezochromic Properties of πconjugated Materials: a combined Raman and DFT Study
(2019-05-29)Π-conjugated materials have been studied for decades due to their great interest in organic electronics. Among them, piezochromic materials, which exhibit color changes resulting from external pressure or mechanical grinding, ... -
Investigation of the charge-transport and optoelectronic properties of carbazole-based macrocycles
(2022)Molecular systems have proven to be efficient active materials in electronics, being possible alternatives to the inorganic semiconductors used nowadays in electronic devices. In this project, an experimental and theoretical ... -
Investigation of the long effective conjugation length in defect-free insulated molecular wires
(2016-02-17)Due to the “insulation” of the π-conjugated backbones, insulated molecular wires (IMWs) are expected to be applied to various optoelectronic applications and nanotechnology.[1] Recently, Kazunori et al have succeeded in ... -
Materiales conjugados en electrónica orgánica: aspectos electrónicos y estructurales
(2016-12-01)En nuestro actual “mundo electrónico” existe un creciente interés en el diseño y fabricación de dispositivos electrónicos orgánicos, con propiedades ecológicas y de alta calidad. A diferencia de aquéllos basados en el ... -
Materiales moleculares para electrónica orgánica
(2014-02-10)Se impartió un seminario especializado sobre materiales moleculares para electrónica orgánica. En el seminario, principalmente se revisaron las características deseables en los semiconductores orgánicos para obtener un ... -
Materials design for ambipolar devices: tuning orbital energetics in oligothiophene-naphthalimides semiconductors
(2016-07-29)Ambipolar organic field-effect transistors (OFETs), which can efficiently transport both holes and electrons, using a single type of electrode, are currently of great interest due to their possible applications in complementary ... -
Merging Theoretical Spectroscopy & Computational Chemistry: Thermally Activated Delayed Fluorescence (TADF) as a new light-emitting mechanism for OLEDs
(2019-02-11)We present recent advances and investigations related with a new mechanism for lightemission in conjugated molecules, Thermally Activated Delayed Fluorescence (TADF), seeking to harvest both the singlet and triplet excitons ... -
Modeling the effect of the electrode potential in SERS by electronic structure calculations.
(2018-07-18)Surface Enhanced Raman Spectroscopy (SERS), due to the ability of greatly intensify the weak Raman signal of molecules adsorbed to metal surfaces, has proven to be a very useful tool to investigate changes in the electronic ... -
Modelling potential dependent surface-enhanced raman scattering: electric field and charged cluster dual model
(2022)The computation of electrochemical systems is very challenging because of the many variables involved. Among them, the effect of the electrode potential is particularly complex to be introduced in atomistic models. In this ... -
Modelling the optical properties of Benzochalcogenodiazole-based Copolymers using Tuned Range-Separated Hybrid Functionals
(2019-10-23)Since the discovery of organic semiconductors, these systems have been deeply investigated and many strategies to module their optical and electronic properties have been established. In this sense, Donor-acceptor (D−A) ... -
Molécula de Tchischibabin distorsionada
(2019)La molécula de Tchischibabin1 representa un ejemplo de dirradical orgánico tipo kekulé. La química de dirradicales orgánicos ha tenido un renacer en los últimos años debido a las interesantes aplicaciones en ... -
Molecular and electronic structure investigation of encapsulated polytiophenes
(2017-07-03)Insulated molecular wires (IMWs) are expected to be applied to various optoelectronic applications due to their unique photophysical, electronic, and mechanical properties which originate from the absence of -stacking.[1] ... -
Molecular diradicals
(2019)Diradicals are defined as molecules with two unpaired electrons which define distinctive manifolds of singlet and triplet states. Diradicals have been recently shown to be fruitful candidates for applications such as ... -
An MS-CASPT2 Study of the Photodecomposition of 4- Methoxyphenyl Azide. Role of Internal Conversion and Intersystem Crossing
(2019-02-13)Aryl azides photochemistry is strongly dependent on the substituent relative position, as has been studied by time resolved resonant Raman (TR3) spectroscopy for 4-methoxyphenyl azide and its isomer 3-methoxyphenyl azide. ...