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The Journal of Physical Chemistry Letters|January 24, 2026
Unraveling the Sources of Broadening in UV-Visible Spectra of Crystalline Oligoacenes Using Multiscale Computational ProtocolsMaxime Hodée, Filippo Brunetti, Federico J Hernández, et al.The Journal of Physical Chemistry. A|June 12, 2008
Interplay between edge-to-face aromatic and hydrogen-bonding interactionsDaniel Escudero, Antonio Frontera, David Quiñonero, et al.The Journal of Chemical Physics|April 1, 2023
The radiative surface hopping (RSH) algorithm: Capturing fluorescence events in molecular systems within a semi-classical non-adiabatic molecular dynamics frameworkManuel Pérez-Escribano, Joanna Jankowska, Giovanni Granucci, et al.Chemistry, an Asian Journal|January 16, 2015
Unravelling the quenching mechanisms of a luminescent Ru(II) probe for Cu(II)André Ribeiro Santos, Daniel Escudero, Leticia González, et al.Environmental Toxicology and Pharmacology|July 26, 2011
Reduction in functional potency of the neurotoxin domoic acid in the presence of cadmium and zinc ionsJosé R Hoedemaker, Barrie M Peake, D Steven KerrThe Journal of Chemical Physics|June 3, 2024
The C1s core levels of polycyclic aromatic hydrocarbons and styrenic polymers: A first-principles studyLaura Galleni, Daniel Escudero, Geoffrey Pourtois, et al.Physical Chemistry Chemical Physics : PCCP|May 29, 2009
Substituent effects on the light-induced C-C and C-Br bond activation in (bisphosphine)(eta2-tolane)Pt0 complexes. A TD-DFT studyDaniel Escudero, Mariana Assmann, Anne Pospiech, et al.Journal of Chemical Theory and Computation|December 11, 2023
Modeling the Fluorescence Quantum Yields of Aromatic Compounds: Benchmarking the Machinery to Compute Intersystem Crossing RatesKoen Veys, Manon H E Bousquet, Denis Jacquemin, et al.Inorganic Chemistry|December 8, 2020
Formation of Excimers in Isoquinolinyl Pyrazolate Pt(II) Complexes: Role of Cooperativity EffectsChattarika Sukpattanacharoen, Prashant Kumar, Yun Chi, et al.Inorganic Chemistry|August 4, 2022
High-Valent Pyrazolate-Bridged Platinum Complexes: A Joint Experimental and Theoretical StudyLorenzo Arnal, Daniel Escudero, Sara Fuertes, et al.Pageof 15