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Classical and Quantum Mechanical Calculations of the Stacking Interaction of NdIII Complexes with Regular and Mismatched DNA Sequences

scientific article published on 04 April 2019

Electronic Structure and Properties of Berkelium Iodates.

artículo científico publicado en 2017

Electronic, Magnetic, and Theoretical Characterization of (NH4)4UF8, a Simple Molecular Uranium(IV) Fluoride

scientific article published on 20 December 2018

Modeling the electronic states and magnetic properties derived from the f1 configuration in lanthanocene and actinocene compounds.

artículo científico publicado en 2017

Spin-filter transport and magnetic properties in a binuclear Cu(ii) expanded porphyrin based molecular junction

artículo científico publicado en 2019

Structure, Spectroscopy, and Theoretical Analysis of Zero- and Three-Dimensional Lithium Plutonium Fluorides: Li4PuF8 and LiPuF5

artículo científico publicado en 2019

The role of the excited state dynamic of the antenna ligand in the lanthanide sensitization mechanism

scientific article published on 20 May 2020

Theoretical Determination of Energy Transfer Processes and Influence of Symmetry in Lanthanide(III) Complexes: Methodological Considerations

artículo científico publicado en 2018

Theoretical Method for an Accurate Elucidation of Energy Transfer Pathways in Europium(III) Complexes with Dipyridophenazine (dppz) Ligand: One More Step in the Study of the Molecular Antenna Effect.

artículo científico publicado en 2017

Understanding the Selective-Sensing Mechanism of Al3+ Cation by a Chemical Sensor Based on Schiff Base: A Theoretical Approach

artículo científico publicado en 2019

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