Daniel Aranda

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University of Malaga

Spain

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Recent Grants

Grant: Close

Excitonic Processes on Supramolecular Polimers: Computational Modeling at Atomistic Scale

Open Date: 2021-11-01

Close Date: 2023-10-01

Grant: Close

Charge Transfer and Excitonic Transport Processes on Supramolecular Polimers

Open Date: 2021-10-01

Close Date: 2021-11-01

Grant: Close

Quantum Dynamics of Photoactivated Processes on Multichromophoric Systems

Open Date: 2019-10-01

Close Date: 2021-09-01

Grant: Close

Energy Processes on Charged Metal-Molecule Hybrids

Open Date: 2016-01-01

Close Date: 2018-12-01

Articles (20)

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2021

Collaborators (8)

Javier Cerezo

Assistant Professor (Ayudante Doctor)

Universidad Autónoma de Madrid

SPAIN

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Mariachiara Pastore

FRANCE

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Berta Covelo

Universidade de Vigo

SPAIN

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Maria Talavera

Universidade de Vigo

SPAIN

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José Lorenzo Alonso-Gómez

Profesor Titular Universidad

Universidade de Vigo

SPAIN

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Juan Carlos Otero

University of Malaga

SPAIN

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Isabel López Tocón

Profesor Titular de Universidad – TU/ Catedrático de Escuela Universitaria - CEU

University of Malaga

SPAIN

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M. Garavelli

ITALY

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Daniel Aranda

Research Interests

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Recent Grants

Articles (20)

Synthesis of zwitterionic open-shell bilayer spironanographenes

Charge Transport in Structurally Related Organic Semiconductors: Experimental Determination and Computational Modeling in Crystalline and Amorphous Scenarios

An efficient approach to estimate electronic couplings in molecular pairs using molecular orbital grids

Helical Ladder Oligomers Exhibit Amplified Circularly Polarized Emission

Linear Vibronic Coupling Approach for Surface-Enhanced Raman Scattering: Quantifying the Charge-Transfer Enhancement Mechanism

Remembering the Old Propensity Rules of the Electromagnetic Enhancement Mechanism of SERS: Reorientation of Pyridine on a Silver Electrode Induced by the Applied Potential

Voltage tuning of photoinduced charge transfer resonances between 2,2′-bipyridine and a nanostructured silver electrode

Aggregation of One‐Dimensional Wires: The Case of Long Oligoynes

Neutral and Anion Species of Quinoidal Thienothiophene Diketopyrrolopyrroles Display a Common Aggregation Mode

Time-Resolved X-ray Absorption Spectroscopy: An MCTDH Quantum Dynamics Protocol

Comparative performance of theoretical tools in order to quantify the effect of the electric potential on the vibrational wavenumbers and intensities of the SERS of 2‐methylpyrazine adsorbed on a nanostructured silver electrode

Thermodynamics of the self-assembly of N-annulated perylene bisimides in water. Disentangling the enthalpic and entropic contributions

ON/OFF Spiroconjugation through Peripheral Functionalization: Impact on the Reactivity and Chiroptical Properties of Spirobifluorenes

Nonadiabatic Vibrational Resonance Raman Spectra from Quantum Dynamics Propagations with LVC Models. Application to Thymine

Computational Model for Electrochemical Surface-Enhanced Raman Scattering: Key Role of the Surface Charges and Synergy between Electromagnetic and Charge-Transfer Enhancement Mechanisms

How the Interplay among Conformational Disorder, Solvation, Local, and Charge-Transfer Excitations Affects the Absorption Spectrum and Photoinduced Dynamics of Perylene Diimide Dimers: A Molecular Dynamics/Quantum Vibronic Approach

How the Interplay among Conformational Disorder, Solvation, Local, and Charge-Transfer Excitations Affects the Absorption Spectrum and Photoinduced Dynamics of Perylene Diimide Dimers: A Molecular Dynamics/Quantum Vibronic Approach

Nonlinear Molecular Electronic Spectroscopy via MCTDH Quantum Dynamics: From Exact to Approximate Expressions

ON/OFF Spiroconjugation through Peripheral Functionalization: Impact on the Reactivity and Chiroptical Properties of Spirobifluorenes

Nonadiabatic Absorption Spectra and Ultrafast Dynamics of DNA and RNA Photoexcited Nucleobases

Collaborators (8)

Javier Cerezo

Mariachiara Pastore

Berta Covelo

Maria Talavera

José Lorenzo Alonso-Gómez

Juan Carlos Otero

Isabel López Tocón

M. Garavelli

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