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List of works by Mar Reguero

Cationic Palladium(II) Complexes for CO/Vinyl Arene Copolymerization in the Presence of Carbon Dioxide

Efficient Photochemical Merocyanine-to-Spiropyran Ring Closure Mechanism through an Extended Conical Intersection Seam. A Model CASSCF/CASPT2 Study

scientific article published on 01 March 2006

Excited-State Decay in the Photoisomerisation of Azobenzene: A New Balance between Mechanisms.

scientific article published on 11 July 2016

Mechanism of the photochemical process of singlet oxygen production by phenalenone

article

Methods for describing open-shell systems: Following the trail of Rosa Caballol's research

article by Coen de Graaf & Mar Reguero published 5 January 2014 in International Journal of Quantum Chemistry

On the mechanism of the photoinduced magnetism in copper octacyanomolybdates

scientific article published on 01 July 2010

Pd(II) complexes with 3,3′-substituted bipyridine ligands: Synthesis, crystal structure, DFT calculations and catalytic studies in compressed carbon dioxide

Phenylazopyridine as Switch in Photochemical Reactions. A Detailed Computational Description of the Mechanism of Its Photoisomerization

scientific article published on 23 November 2017

Photosensitization Versus Photocyclization: Competitive Reactions of Phenylphenalenone in Its Role as Phytoanticipins in Plant Defense Strategies.

scientific article published on 21 December 2017

The Peculiar Spectral Properties of Amino-Substituted Uracils: A Combined Theoretical and Experimental Study ⬇️

scientific article published on October 7, 2010

Theoretical investigation of luminescence behavior as a function of alkyl chain size in 4-aminobenzonitrile alicyclic derivatives

scientific article published in October 2006

Thermal and photochemical rearrangement of bicyclo[3.1.0]hex-3-en-2-one to the ketonic tautomer of phenol. Computational evidence for the formation of a diradical rather than a zwitterionic intermediate.

scientific article

Unified Model for the Ultrafast Decay of Pyrimidine Nucleobases

scientific article published on 01 December 2006

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