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1983 …2020

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2016

Catalytic aspects of metallophthalocyanines adsorbed on gold-electrode. Theoretical exploration of the binding nature role

Miranda-Rojas, S., Sierra-Rosales, P., Muñoz-Castro, A., Arratia-Pérez, R., Zagal, J. H. & Mendizábal, F., 1 Jan 2016, In : Physical Chemistry Chemical Physics. 18, 42, p. 29516-29525 10 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)

Density functional study on Keggin heteropolyanions containing fifth period main group heteroatoms

Clavería-Cádiz, F., Arratia-Pérez, R. & MacLeod-Carey, D., 1 Jan 2016, In : Polyhedron. 117, p. 478-486 9 p.

Research output: Contribution to journalArticle

5 Citations (Scopus)

Fluorescence probes for prokaryotic and eukaryotic cells using Re(CO)3+ complexes with an electron withdrawing ancillary ligand

Carreño, A., Gacitúa, M., Fuentes, J. A., Páez-Hernández, D., Peñaloza, J. P., Otero, C., Preite, M., Molins, E., Swords, W. B., Meyer, G. J., Manríquez, J. M., Polanco, R., Chávez, I. & Arratia-Pérez, R., 1 Jan 2016, In : New Journal of Chemistry. 40, 9, p. 7687-7700 14 p.

Research output: Contribution to journalArticle

11 Citations (Scopus)

Improvement of photovoltaic performance by substituent effect of donor and acceptor structure of TPA-based dye-sensitized solar cells

Inostroza, N., Mendizabal, F., Arratia-Pérez, R., Orellana, C. & Linares-Flores, C., 1 Jan 2016, In : Journal of Molecular Modeling. 22, 1, p. 1-7 7 p., 25.

Research output: Contribution to journalArticle

4 Citations (Scopus)

Insights into bonding interactions and excitation energies of 3d-4f mixed lanthanide transition metal macrocyclic complexes

Rabanal-León, W. A., Murillo-López, J. A. & Arratia-Pérez, R., 2016, In : Physical Chemistry Chemical Physics. 18, 48, p. 33218-33225 8 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Surface on Surface. Survey of the Monolayer Gold-Graphene Interaction from Au12 and PAH via Relativistic DFT Calculations

Muñoz-Castro, A., Gomez, T., Carey, D. M. L., Miranda-Rojas, S., Mendizabal, F., Zagal, J. H. & Arratia-Perez, R., 21 Apr 2016, In : Journal of Physical Chemistry C. 120, 13, p. 7358-7364 7 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)

Theoretical and experimental characterization of a novel pyridine benzimidazole: Suitability for fluorescence staining in cells and antimicrobial properties

Carreño, A., Gacitúa, M., Fuentes, J. A., Páez-Hernández, D., Araneda, C., Chávez, I., Soto-Arriaza, M., Manríquez, J. M., Polanco, R., Mora, G. C., Otero, C., Swords, W. B. & Arratia-Pérez, R., 1 Jan 2016, In : New Journal of Chemistry. 40, 3, p. 2362-2375 14 p.

Research output: Contribution to journalArticle

10 Citations (Scopus)

Theoretical exploration of seleno and tellurophenols as promising alternatives to sulfur ligands for anchoring to gold (111) materials

Miranda-Rojas, S., Salazar-Molina, R., Kästner, J., Arratia-Pérez, R. & Mendizábal, F., 2016, In : RSC Advances. 6, 6, p. 4458-4468 11 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)
2015
6 Citations (Scopus)

Computational study of organo-cesium complexes and the possibility of lanthanide/actinide ions substitution

Rabanal-León, W. A., Martinez-Ariza, G., Roberts, S. A., Hulme, C. & Arratia-Pérez, R., 16 Nov 2015, In : Chemical Physics Letters. 641, p. 181-186 6 p.

Research output: Contribution to journalArticle

Experimental and theoretical studies of the ancillary ligand (E)-2-((3-amino-pyridin-4-ylimino)-methyl)-4,6-di-tert-butylphenol in the rhenium(i) core

Carreño, A., Gacitua, M., Schott, E., Zarate, X., Manriquez, J. M., Preite, M., Ladeira, S., Castel, A., Pizarro, N., Vega, A., Chavez, I. & Arratia-Perez, R., 1 Jul 2015, In : New Journal of Chemistry. 39, 7, p. 5725-5734 10 p.

Research output: Contribution to journalArticle

16 Citations (Scopus)

Exploring the nature of the excitation energies in [Re63-Q8)X6]4- clusters: A relativistic approach

Rabanal-León, W. A., Murillo-López, J. A., Páez-Hernández, D. & Arratia-Pérez, R., 21 Jul 2015, In : Physical Chemistry Chemical Physics. 17, 27, p. 17611-17617 7 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)

Interaction of LD14 and TiO2 in dye-sensitized solar-cells (DSSC): A density functional theory study

Mendizabal, F., Lopéz, A., Arratia-Pérez, R. & Zapata-Torres, G., 15 Oct 2015, In : Computational and Theoretical Chemistry. 1070, p. 117-125 9 p.

Research output: Contribution to journalArticle

13 Citations (Scopus)

Interaction of YD2 and TiO2 in dye-sensitized solar cells (DSSCs): a density functional theory study

Mendizabal, F., Lopéz, A., Arratia-Pérez, R., Inostroza, N. & Linares-Flores, C., 14 Sep 2015, In : Journal of Molecular Modeling. 21, 9, 226.

Research output: Contribution to journalArticle

10 Citations (Scopus)

New Insights into Re3(μ-Cl)3Cl6 Aromaticity. Evidence of σ- and π-Diatropicity

Vásquez-Espinal, A., Pino-Rios, R., Alvarez-Thon, L., Rabanal-León, W. A., Torres-Vega, J. J., Arratia-Perez, R. & Tiznado, W., 7 Oct 2015, In : Journal of Physical Chemistry Letters. 6, 21, p. 4326-4330 5 p.

Research output: Contribution to journalArticle

10 Citations (Scopus)

Spectral, theoretical characterization and antifungal properties of two phenol derivative Schiff bases with an intramolecular hydrogen bond

Carreño, A., Gacitúa, M., Páez-Hernández, D., Polanco, R., Preite, M., Fuentes, J. A., Mora, G. C., Chávez, I. & Arratia-Pérez, R., 22 Jul 2015, In : New Journal of Chemistry. 39, 10, p. 7822-7831 10 p.

Research output: Contribution to journalArticle

14 Citations (Scopus)

Substituents role in zinc phthalocyanine derivatives used as dye-sensitized solar cells. A theoretical study using Density Functional Theory

Linares-Flores, C., Mendizabal, F., Arratia-Pérez, R., Inostroza, N. & Orellana, C., 16 Oct 2015, In : Chemical Physics Letters. 639, p. 172-177 6 p.

Research output: Contribution to journalArticle

8 Citations (Scopus)

Thermal Fluctuations on Förster Resonance Energy Transfer in Dyadic Solar Cell Sensitizers: A Combined Ab Initio Molecular Dynamics and TDDFT Investigation

Urzúa-Leiva, R. A., Rampino, S., Arratia-Perez, R., Mosconi, E., Pastore, M. & Angelis, F. D., 23 Jul 2015, In : Journal of Physical Chemistry C. 119, 29, p. 16490-16499 10 p.

Research output: Contribution to journalArticle

5 Citations (Scopus)
10 Citations (Scopus)

The Synthesis of Stable, Complex Organocesium Tetramic Acids through the Ugi Reaction and Cesium-Carbonate-Promoted Cascades

Martinez-Ariza, G., Ayaz, M., Roberts, S. A., Rabanal-Leõn, W. A., Arratia-Pérez, R. & Hulme, C., 1 Sep 2015, In : Angewandte Chemie - International Edition. 54, 40, p. 11672-11676 5 p.

Research output: Contribution to journalArticle

17 Citations (Scopus)
2014
7 Citations (Scopus)

Direct spectroscopic evidence for constituent heteroatoms enhancing charge recombination at a TiO2-ruthenium dye interface

Hu, K., Severin, H. A., Koivisto, B. D., Robson, K. C. D., Schott, E., Arratia-Perez, R., Meyer, G. J. & Berlinguette, C. P., 31 Jul 2014, In : Journal of Physical Chemistry C. 118, 30, p. 17079-17089 11 p.

Research output: Contribution to journalArticle

17 Citations (Scopus)

Electron transfer from the benzophenone triplet excited state directs the photochemical synthesis of gold nanoparticles

McTiernan, C. D., Alarcon, E. I., Hallett-Tapley, G. L., Murillo-Lopez, J., Arratia-Perez, R., Netto-Ferreira, J. C. & Scaiano, J. C., Feb 2014, In : Photochemical and Photobiological Sciences. 13, 2, p. 149-153 5 p.

Research output: Contribution to journalArticle

10 Citations (Scopus)

Intramolecular and lateral intermolecular hole transfer at the sensitized TiO2 interface

Hu, K., Robson, K. C. D., Beauvilliers, E. E., Schott, E., Zarate, X., Arratia-Perez, R., Berlinguette, C. P. & Meyer, G. J., 22 Jan 2014, In : Journal of the American Chemical Society. 136, 3, p. 1034-1046 13 p.

Research output: Contribution to journalArticle

43 Citations (Scopus)

New mono and bimetallic iron complexes derived from partially methylated s-indacene. Evidence of a trinuclear iron s-indacene complex

Morales-Verdejo, C., Martínez-Díaz, I., Adams, C., Araneda, J. F., Oehninger, L., Mac-Leod Carey, D., Muñoz-Castro, A., Arratia-Pérez, R., Chávez, I. & Manríquez, J. M., 17 Feb 2014, In : Polyhedron. 69, p. 15-24 10 p.

Research output: Contribution to journalArticle

7 Citations (Scopus)

Reactivity trends of Fe phthalocyanines confined on graphite electrodes in terms of donor-acceptor intermolecular hardness: Linear versus volcano correlations

Linares-Flores, C., Espinoza-Vergara, J., Zagal, J. H. & Arratia-Perez, R., 20 Oct 2014, In : Chemical Physics Letters. 614, p. 176-180 5 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)

Understanding the influence of terminal ligands on the electronic structure and bonding nature in [Re6(μ3-Q8)]2+ clusters

Rabanal-León, W. A., Murillo-López, J. A., Páez-Hernández, D. & Arratia-Pérez, R., 20 Nov 2014, In : Journal of Physical Chemistry A. 118, 46, p. 11083-11089 7 p.

Research output: Contribution to journalArticle

12 Citations (Scopus)
2013

A new heterobimetallic manganese-rhodium carbonyl complex derived from partially alkylated s-indacene

Morales-Verdejo, C., Oehninger, L., Martínez-Díaz, I., Mac-Leod Carey, D., Arratia-Pérez, R., Chávez, I. & Manríquez, J. M., 1 Jan 2013, In : Inorganica Chimica Acta. 394, p. 132-139 8 p.

Research output: Contribution to journalArticle

9 Citations (Scopus)

Antenna effect by organometallic chromophores in bimetallic d-f complexes

Ferraro, F., Páez-Hernández, D., Murillo-López, J. A., Muñoz-Castro, A. & Arratia-Pérez, R., 22 Aug 2013, In : Journal of Physical Chemistry A. 117, 33, p. 7847-7854 8 p.

Research output: Contribution to journalArticle

9 Citations (Scopus)

Effects of the peripheral substituents (-NH2, -OH, -CH 3, -H, -C6H5, -Cl, -CO2H and -NO2) on molecular properties of a Ni-Porphyrazine dimers family

Zarate, X., Schott, E. & Arratia-Pérez, R., 13 Feb 2013, In : Polyhedron. 50, 1, p. 131-138 8 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)
3 Citations (Scopus)

Novel titanocene derived from a partially alkylated s-indacene: Synthesis, characterization and comparative study with its zirconium analog

Oehninger, L., Araneda, J. F., Morales-Verdejo, C., Muñoz-Castro, A., Mac-Leod Carey, D., Adams, C., Arratia-Pérez, R., Rojas, R., Manríquez, J. M. & Chávez, I., 24 Feb 2013, In : Inorganica Chimica Acta. 396, p. 35-39 5 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Relativistic-DFT study of the electronic structure, bonding and energetic of the [ref8]- and [uf8]2- ions

Rabanal-León, W. A. & Arratia-Pérez, R., Dec 2013, In : Journal of the Chilean Chemical Society. 58, 4, p. 2020-2024 5 p.

Research output: Contribution to journalArticle

Substituents effect on the electronic structure and molecular properties of bis[organohydrazido(2-)] molybdenum(VI) complexes

Schott, E., Zarate, X., MacLeod-Carey, D., Arratia-Perez, R. & Bustos, C., 2013, In : Polyhedron. 61, p. 27-32 6 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Theoretical calculations of an osmium molecular switch

Miranda-Barrientos, F., Muñoz-Castro, A., Arratia-Pérez, R. & Carey, D. M., 1 Jan 2013, In : Journal of the Chilean Chemical Society. 58, 4, p. 2110-2113 4 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Theoretical insights into the adsorption of neutral, radical and anionic thiophenols on gold(111)

Miranda-Rojas, S., Muñoz-Castro, A., Arratia-Pérez, R. & Mendizábal, F., 14 Dec 2013, In : Physical Chemistry Chemical Physics. 15, 46, p. 20363-20370 8 p.

Research output: Contribution to journalArticle

17 Citations (Scopus)
42 Citations (Scopus)
2012

A new method to radical anions derived from s-Indacene organobimetallic complexes, their ESR characterization

MacLeod Carey, D., Adams, C., Muñoz-Castro, A., Morales-Verdejo, C., Araneda, J. F., Chavez, I., Manríquez, J. M., Castel, A., Rivière, P., Rivière-Baudet, M., Matioszek, D., Septelean, R., Martinez, I. & Arratia-Pérez, R., 30 Sep 2012, In : Inorganica Chimica Acta. 392, p. 154-159 6 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)

A relativistic study of the electronic and magnetic properties of cerocene and thorocene and its anions

Ferraro, F., Barboza, C. A. & Arratia-Pérez, R., 26 Apr 2012, In : Journal of Physical Chemistry A. 116, 16, p. 4170-4175 6 p.

Research output: Contribution to journalArticle

19 Citations (Scopus)
2 Citations (Scopus)

A TD-DFT basis set and density functional assessment for the calculation of electronic excitation energies of fluorene

Barboza, C. A., Vazquez, P. A. M., Mac-Leod Carey, D. & Arratia-Perez, R., 15 Oct 2012, In : International Journal of Quantum Chemistry. 112, 20, p. 3434-3438 5 p.

Research output: Contribution to journalArticle

20 Citations (Scopus)
2 Citations (Scopus)
2 Citations (Scopus)

Electronic structure and molecular properties of paramagnetic hexanuclear Tantalum [Ta 6X 12Y 6] 3- (X and y = F, Cl, Br, I) cluster compounds

Schott, E., Zarate, X. & Arratia-Pérez, R., 1 Apr 2012, In : Polyhedron. 36, 1, p. 127-132 6 p.

Research output: Contribution to journalArticle

Enhancement of the catalytic activity of fe phthalocyanine for the reduction of O 2 anchored to Au(111) via conjugated self-assembled monolayers of aromatic thiols as compared to Cu phthalocyanine

Ponce, I., Silva, J. F., Oñate, R., Rezende, M. C., Paez, M. A., Zagal, J. H., Pavez, J., Mendizabal, F., Miranda-Rojas, S., Muñoz-Castro, A. & Arratia-Pérez, R., 26 Jul 2012, In : Journal of Physical Chemistry C. 116, 29, p. 15329-15341 13 p.

Research output: Contribution to journalArticle

46 Citations (Scopus)

Methylation and the system-size effect over the structural, electronic, magnetic (NICS) and reactive properties of pentalene derivatives

Barboza, C. A., Barboza, E., Arratia-Perez, R. & Carey, D. M. L., 30 Aug 2012, In : Chemical Physics Letters. 545, p. 88-94 7 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)

Photophysical properties of [Cu(binap) 2] + and [Pd(binap) 2] complexes: A theoretical study

Zarate, X., Schott, E., Ramirez-Tagle, R., MacLeod-Carey, D. & Arratia-Pérez, R., 23 Apr 2012, In : Polyhedron. 37, 1, p. 54-59 6 p.

Research output: Contribution to journalArticle

7 Citations (Scopus)

Quantum dynamical simulations as a tool for predicting photoinjection mechanisms in dye-sensitized TiO 2 solar cells

Oviedo, M. B., Zarate, X., Negre, C. F. A., Schott, E., Arratia-Pérez, R. & Sánchez, C. G., 20 Sep 2012, In : Journal of Physical Chemistry Letters. 3, 18, p. 2548-2555 8 p.

Research output: Contribution to journalArticle

47 Citations (Scopus)

Reactivity of dipyridyl ditellurides with (diphosphine)Pt 0 and 2-pyridyltellurolates with (diphosphine)PtCl 2 and isolation of different structural motifs of platinum(II) complexes

Chauhan, R. S., Kedarnath, G., Wadawale, A., Rheingold, A. L., Muñoz-Castro, A., Arratia-Perez, R. & Jain, V. K., 12 Mar 2012, In : Organometallics. 31, 5, p. 1743-1750 8 p.

Research output: Contribution to journalArticle

23 Citations (Scopus)

Relativistic effects in bonding and isomerization energy of the superheavy roentgenium ( 111Rg) cyanide

Muñoz-Castro, A., Carey, D. M. L., Arratia-Perez, R. & Malli, G. L., 30 May 2012, In : Polyhedron. 39, 1, p. 113-117 5 p.

Research output: Contribution to journalArticle

7 Citations (Scopus)