Publicacions en col·laboració amb investigadors/es de Universidad de Santiago de Chile (13)

2023

  1. Near-infrared absorption of fused core-modified expanded porphyrins for dye-sensitized solar cells

    The Journal of chemical physics, Vol. 158, Núm. 16

2019

  1. Assessment of BODIPY-Oxasmaragdyrin Dyads for Dye-Sensitized Solar Cells: Aromaticity, Photosensitization Capability, and Charge Transport

    Journal of Physical Chemistry C, Vol. 123, Núm. 32, pp. 19362-19375

2017

  1. Insights on the Reactivity of Terminal Phosphanido Metal Complexes toward Activated Alkynes from Theoretical Computations

    Inorganic Chemistry, Vol. 56, Núm. 11, pp. 6652-6661

2016

  1. Tautomerization mechanism and spectral properties of porphyrin–glucose complexes as models of antibacterial material

    Theoretical Chemistry Accounts, Vol. 135, Núm. 5

2015

  1. Understanding the hydrolysis mechanism of ethyl acetate catalyzed by an aqueous molybdocene: A computational chemistry investigation

    Inorganic Chemistry, Vol. 54, Núm. 4, pp. 1223-1231

2011

  1. Quantitative structure property relationships to evaluate the photosensitizing capability in porphyrins and chlorins

    International Journal of Quantum Chemistry, Vol. 111, Núm. 7-8, pp. 1570-1582

  2. Theoretical study on the electronic excitations of a porphyrin-polypyridyl ruthenium(II) photosensitizer

    Journal of Physical Chemistry A, Vol. 115, Núm. 43, pp. 11988-11997

2010

  1. A computational study on the stability-aromaticity correlation of triply N-confused porphyrins: CMMSE-09

    Journal of Mathematical Chemistry, Vol. 48, Núm. 1, pp. 137-144

  2. A theoretical investigation on the spectroscopic properties and photosensitizing capability of 5, 10, 15, 20-tetraphenylsapphyrin and 5, 10, 15, 20-tetraphenyl-26,28-diheterosapphyrins with two O, S, or Se Atoms

    Theoretical Chemistry Accounts, Vol. 127, Núm. 5, pp. 475-484

2008

  1. Effect of chlorin structure on theoretical electronic absorption spectra and on the energy released by porphyrin-based photosensitizers

    Journal of Physical Chemistry A, Vol. 112, Núm. 51, pp. 13574-13583

  2. Theoretical insight into pyrrole inversion and planarity in 5,10,15,20-tetraphenylsapphyrin and 5,10,15,20-tetraphenyl-26,28- diheterosapphyrins with two o, s, or Se atoms

    Journal of Physical Chemistry A, Vol. 112, Núm. 35, pp. 8100-8106

2007

  1. Molecular magnetic properties of heteroporphyrins: A theoretical analysis

    Physical Chemistry Chemical Physics, Vol. 9, Núm. 42, pp. 5644-5648

2005

  1. Synthesis of β-lactams by Ag+-induced ring expansion of 1-hydroxycyclopropylamines: A theoretical analysis

    Journal of Physical Chemistry A, Vol. 109, Núm. 34, pp. 7822-7831