Publikationen in Zusammenarbeit mit Forschern von Centre National de la Recherche Scientifique (10)

2023

  1. Interplay between computations and experiments in photochemistry

    Theoretical and Computational Photochemistry (ELSEVIER)

2020

  1. Allyl amino-thioxanthone derivatives as highly efficient visible light H-donors and co-polymerizable photoinitiators

    Polymer Chemistry, Vol. 11, Núm. 26, pp. 4297-4312

2018

  1. Acridine-decorated cyclometallated gold(iii) complexes: Synthesis and anti-tumour investigations

    Dalton Transactions, Vol. 47, Núm. 38, pp. 13523-13534

2017

  1. Level of theory and solvent effects on DASA absorption properties prediction: Comparing TD-DFT, CASPT2 and NEVPT2

    Materials, Vol. 10, Núm. 9

  2. Luminescent gold(I)-thiophenolate coordination polymers as phase change materials and precursors for the formation of multifunctional nanocomposites

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

  3. Optomechanical Control of Quantum Yield in Trans–Cis Ultrafast Photoisomerization of a Retinal Chromophore Model

    Angewandte Chemie International, Vol. 56, Núm. 14, pp. 3842-3846

  4. Simulating the Electronic Circular Dichroism Spectra of Photoreversible Peptide Conformations

    Journal of Chemical Theory and Computation, Vol. 13, Núm. 7, pp. 3290-3296

2016

  1. Unravelling Protein–DNA Interactions at Molecular Level: A DFT and NCI Study

    Journal of Chemical Theory and Computation, Vol. 12, Núm. 2, pp. 523-534

2004

  1. A hydration study of (1-4) and (1-6) linked a-glucans by comparative 10 ns molecular dynamics simulations and 500 MHz NMR

    Journal of Computational Chemistry, Vol. 25, Núm. 4, pp. 573-586

  2. Hydration of the amylopectin branch point. Evidence of restricted conformational diversity of the α-(1→6) linkage

    Journal of the American Chemical Society, Vol. 126, Núm. 40, pp. 13144-13155