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Theoretical and Computational Chemistry

Working Paper

A Computational Protocol to Predict Anti-Kasha Emissions: The Case of Azulene Derivatives

Koen Veys, Daniel Escudero

Version 1 posted 05 June 2020

535

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Theoretical and Computational Chemistry

Working Paper

Modelling MR-TADF emitters: excited-state decay rate constants and wavefunction descriptors

Mariana Telles do Casal, Youssef Badawy, Daniel Escudero

Version 1 posted 11 July 2024

300

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Theoretical and Computational Chemistry

Working Paper

Modelling the Fluorescence Quantum Yields of Aromatic Compounds: Benchmarking the Machinery to Compute Intersystem Crossing Rates

Koen Veys, Manon H. E. Bousquet, Denis Jacquemin, Daniel Escudero

Version 1 posted 28 June 2023

752

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1

Citations

Inorganic Chemistry

Working Paper

Multiple Anti-Kasha Emissions in Transition Metal Complexes

Milena Röhrs, Daniel Escudero

Version 1 posted 11 July 2019

653

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1

Citations

Theoretical and Computational Chemistry

Working Paper

The phosphorescent properties of heteroleptic Ir (III) complexes: uncovering their emissive species

Prashant Kumar, Manuel Pérez-Escribano, Davita M. E. van Raamsdonk, Daniel Escudero

Version 2 posted 14 June 2023

287

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Nanoscience

Working Paper

Surfactant-free colloidal syntheses of gold-based nanomaterials in alkaline water and mono-alcohol mixtures

Jonathan Quinson, Olivia Aalling-Frederiksen, Waynah L. Dacayan, Joachim D. Bjerregaard, Kim D. Jensen, Mads R. V. Jørgensen, Innokenty Kantor, Daniel R. Sørensen, Luise Theil Kuhn, Matthew S. Johnson, María Escudero-Escribano, Søren B. Simonsen, Kirsten M. Ø. Jensen

Version 2 posted 02 February 2023

405

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1

Citations

Theoretical and Computational Chemistry

Working Paper

The Radiative Surface Hopping (RSH) algorithm: capturing fluorescence events in molecular systems within a semi-classical Non-Adiabatic Molecular Dynamics framework

Manuel Pérez-Escribano, Joanna Jankowska, Giovanni Granucci, Daniel Escudero

Version 1 posted 21 December 2022

298

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Inorganic Chemistry

Working Paper

A Computational Protocol to Calculate the Phosphorescence Energy of Pt (II) Complexes: Is the lowest triplet excited state always involved in emission? A Comprehensive Benchmark Study

Prashant Kumar, Daniel Escudero

Version 1 posted 24 August 2021

631

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Theoretical and Computational Chemistry

Review

Anti-Kasha Fluorescence in Molecular Entities: The Central Role of the Electron-Vibrational Coupling

Koen Veys, Daniel Escudero

Version 1 posted 07 July 2022

1,154

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1

Citations

Refine Search

9 results in Daniel Escudero in Authors: Daniel Escudero

A Computational Protocol to Predict Anti-Kasha Emissions: The Case of Azulene Derivatives

Modelling MR-TADF emitters: excited-state decay rate constants and wavefunction descriptors

Modelling the Fluorescence Quantum Yields of Aromatic Compounds: Benchmarking the Machinery to Compute Intersystem Crossing Rates

Multiple Anti-Kasha Emissions in Transition Metal Complexes

The phosphorescent properties of heteroleptic Ir (III) complexes: uncovering their emissive species

Surfactant-free colloidal syntheses of gold-based nanomaterials in alkaline water and mono-alcohol mixtures

The Radiative Surface Hopping (RSH) algorithm: capturing fluorescence events in molecular systems within a semi-classical Non-Adiabatic Molecular Dynamics framework

A Computational Protocol to Calculate the Phosphorescence Energy of Pt (II) Complexes: Is the lowest triplet excited state always involved in emission? A Comprehensive Benchmark Study

Anti-Kasha Fluorescence in Molecular Entities: The Central Role of the Electron-Vibrational Coupling

9 results in Authors: Daniel Escudero