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Ramiro Arratia Perez

DIRECTOR DOCTORADO

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

Quimica Teorica; Relativistic Quantum Chemistry; Molecular NANO Materials;LUMINESCENT MOLECULAR SENSORS

Chemistry, UNIVERSITY OF CALIFORNIA- DAVIS. Chile, 1983
Químico, UNIVERSIDAD DE CHILE. Chile, 1976

Postdoctoral Fellow Full Time

SIMON FRASER UNIVERSITY

Science

Burnaby, Canada

1984 - 1986
POSTDOCTORAL FELLOW Full Time

UNIVERSITY OF TEXAS AT ARLINGTON

science

Arlington, Estados Unidos

1986 - 1988
LECTURER Part Time

SIMON FRASER UNIVERSITY

SCIENCE

Burnaby, Canada

1988 - 1989
PROFESOR ASISTENTE Full Time

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

QUIMICA

Santiago, Chile

1989 - 1990
PROFESOR ASOCIADO Full Time

PONTIFICIA UNIVERSIDAD CATOLICA DE CHILE

QUIMICA

Santiago, Chile

1990 - 1994
SECRETARIO ACADEMICO Full Time

UNIVERSIDAD ANDRES BELLO

CIENCIAS BASICAS

Santiago, Chile

1999 - 2001
PROFESOR TITULAR Full Time

UNIVERSIDAD AUSTRAL DE CHILE

CIENCIAS

VALDIVIA, Chile

1995 - 1997
DIRECTOR Full Time

UNIVERSIDAD ANDRES BELLO

ECOLOGIA

S, Chile

2002 - 2004
DIRECTOR Full Time

UNIVERSIDAD ANDRES BELLO

CIENCIAS EXACTAS

Santiago, Chile

2002 - 2017
DIRECTOR Full Time

UNIVERSIDAD ANDRES BELLO

CIENCIAS EXACTAS

S, Chile

2015 - 2017

DIRECTOR ALTERNO Part Time

NUCLEO MILENIO MECANICA CUANTICA APLICADA Y QUIMICA COMPUTACIONAL

SANTIAGO, Chile

2004 - 2006
DIRECTOR Full Time

NUCLEO MILENIO DE INGENIERIA MOLECULAR PARA CATALISIS Y ELECTROCATALISIS, REMEDIACION Y CONVERSION DE ENERGIA

SANTIAGO, Chile

2010 - 2012
DIRECTOR Full Time

NUCLEO MILENIO PARA CATALISIS Y BIOSENSORES

SANTIAGO, Chile

2013 - 2016
DIRECTOR Part Time

CENTRO DE NANOCIENCIAS APLICADAS

SANTIAGO, Chile

2015 - 2017

Doctores en Fisicoquimica Molecular graduados:

Jorge David Caro Universidad Andres Bello Chile 2007
Juan Gómez Jeria Universidad Andres Bello Chile 2007
Luis Alvarez Thon Universidad Andres Bello Chile 2009
Rodrigo Ramirez Tagle Universidad Andres Bello Chile 2009
Alvaro Muñoz Castro Universidad Andres Bello Chile 2010
Leonor Alvarado Soto Universidad Andres Bello Chile 2010
Cristian Linares Flores Universidad Andres Bello Chile 2012
Ricardo Veloso Bahamonde Universidad Andres Bello Chile 2012
Dayan Paez Hernandez Universidad Andres Bello Chile 2012
Franklin Ferraro Gomez Universidad Andres Bello Chile 2012
Ximena Zarate Bonilla Universidad Andres Bello Chile 2012
Eduardo Schott Verdugo Universidad Andres Bello Chile 2013
Cristina Aparecida Barboza Universidad Andres Bello Chile 2013
Juliana Murillo Lopez Universidad Andres Bello Chile 2014
Walter Rabanal Leon Universidad Andres Bello Chile 2015
Rodrigo Urzua Leiva Universidad Andres Bello Chile 2015
Fernando Miranda Bahamonde Universidad Andres Bello Chile 2016

Graduados de Magister:
Luis Alvarez Thon Universidad Austral de Chile Chile 2001

Graduados de Pregrado:

Francisca Claveria Cadiz U Andres Bello Chile 2015
Alejandra Aros U Andres Bello Chile 2017


[M16Ni24(CO)(40)](4-): Coinage Metal Tetrahedral Superatoms as Useful Building Blocks Related to Pyramidal Au-20 Clusters (M = Cu, Ag, Au). Electronic and Bonding Properties from Relativistic DFT Calculations Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY C (2018)
Ab initio calculations of heavy-actinide hexahalide compounds: do these heavy actinides behave like their isoelectronic lanthanide analogues? Article ISI SCOPUS Physical Chemistry Chemical Physics (2018)
Comparative study of the anchorage and the catalytic properties of nanoporous TiO2 films modified with ruthenium (II) and rhenium (I) carbonyl complexes Oyarzun, Diego P.; Chardon-Noblat, Sylvie; Linarez Perez, Omar E.; Lopez Teijelo, Manuel; Zarate, Ximena; Shott, Eduardo Article ISI SCOPUS Chemical Physics Letters (2018)
Electrochemical behaviors and relativistic DFT calculations to understand the terminal ligand influence on the [Re-6(mu(3)-Q)(8)X-6](4-) clusters Rojas-Poblete, Macarena Article ISI SCOPUS NEW JOURNAL OF CHEMISTRY (2018)
Study of the structure-bioactivity relationship of three new pyridine Schiff bases: synthesis, spectral characterization, DFT calculations and biological assays Otero, Carolina; Fuentes, Juan A. Article ISI SCOPUS NEW JOURNAL OF CHEMISTRY (2018)
Survey of short and long cuprophilic d(10)-d(10) contacts for tetranuclear copper clusters. Understanding of bonding and ligand role from a planar superatom perspective Article ISI SCOPUS NEW JOURNAL OF CHEMISTRY (2018)
Theoretical Determination of Energy Transfer Processes and Influence of Symmetry in Lanthanide(III) Complexes: Methodological Considerations Article ISI SCOPUS INORGANIC CHEMISTRY (2018)
Three new types of transition metal carboranylamidinate complexes Rädisch, Tim; Harmgarth, Nicole; Liebing, Phil; Engelhardt, Felix; Hilfert, Liane; Oehler, Florian; Busse, Sabine; Edelmann, Frank T. Article ISI SCOPUS DALTON TRANSACTIONS (2018)
Bonding in gold-rare earth [Au2M] (M = Eu, Yb, Lu) ions. A strong covalent gold- lanthanide bond Article ISI SCOPUS Chemical Physics Letters (2017)
Chemical reactivity descriptors evaluation for determining catalytic activity, redox potential, and oxygen binding of metallophthalocyanines Article ISI SCOPUS CHEMICAL PAPERS (2017)
Coinage Metal Superatomic Cores: Insights into Their Intrinsic Stability and Optical Properties from Relativistic DFT Calculations Mu?oz-Castro, Alvaro Rafael; Gam, Franck; Paez-Hernandez, Dayan; Liu, C. W.; Kahlal, Samia Article ISI SCOPUS CHEMISTRY-A EUROPEAN JOURNAL (2017)
DFT studies on coordination models for adsorption essays of Cu(II) and Ni(II) solutions in modified silica gel with iminodiacetic groups Carre?o, Alexander; Vega, Juan C.; Mardones, Miguel; Cowley, Alan H.; Hinestroza, Juan P. Article ISI SCOPUS CHEMICAL PAPERS (2017)
Electrochemical synthesis, optical properties and morphological characterization of ZnO/Poly(N-PhMI-co-HEMA) nanocomposite Martin-Transaco, Rudy; Perez-Donoso, Jose Manuel Article ISI SCOPUS Journal of Electroanalytical Chemistry (2017)
Electronic structure and optical properties calculation of Zn-porphyrin with N-annulated perylene adsorbed on TiO2 model for dye-sensitized solar cell applications: A DFT/TD-DFT study P?ez-Hern?ndez, Day?n; Arratia-P?rez, Ramiro Article ISI SCOPUS Computational Materials Science (2017)
Electronic Structure and Properties of Berkelium Iodates Silver M.A.; Cary S.K.; Garza A.J.; Baumbach R.E.; Arico A.A.; Galmin G.A.; Chen K.-W.; Clark R.J.; Chemey A.; Eaton T.M.; et al. Article SCOPUS Journal of the American Chemical Society (2017)
Exploring the geometrical and optical properties of neutral rhenium (I) tricarbonyl complex of 1,10-phenanthroline-5,6-diol using relativistic methods Solís-Céspedes E. Article ISI SCOPUS Chemical Physics Letters (2017)
Nanostructuring of anodic copper oxides in fluoride-containing ethylene glycol media Jerez, DPO; Cervantes W.R. Article ISI SCOPUS Journal of Electroanalytical Chemistry (2017)
Reduction of Au(III) by a beta-cyclodextrin polymer in acid medium. A stated unattainable reaction Article ISI SCOPUS Carbohydrate Polymers (2017)
Spin-orbit effect into isomerization barrier of small gold Clusters. O-h <-> D-2h Fluxionality of the Au-6(2+) cluster Investigated by relativistic methods Paez-Hernandez, Dayan Article ISI SCOPUS Chemical Physics Letters (2017)
Substituted bidentate and ancillary ligands modulate the bioimaging properties of the classical Re(I) tricarbonyl core with yeasts and bacteria Aros, Alejandra E. Article ISI SCOPUS NEW JOURNAL OF CHEMISTRY (2017)
Synthesis, characterization and relativistic DFT studies of fac-Re(CO)(3)(isonicotinicacid)(2)Cl complex Martin-Transaco, R Article ISI SCOPUS Chemical Physics Letters (2017)
The origin of phosphorescence in Iridium (III) complexes. The role of relativistic effects Article ISI SCOPUS Chemical Physics Letters (2017)
Theoretical and experimental approach on the molecular interactions of the DL-Alanine with an electrolytic environment Yañez-Osses O.; Páez-Meza M.S. Article ISI SCOPUS Chemical Physics Letters (2017)
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 Beltrán-Leiva, María J.; Cantero-Lopez, Plinio; Bulhões-Figueira, Ana Article ISI SCOPUS INORGANIC CHEMISTRY (2017)
X-ray diffraction and relativistic DFT studies on the molecular biomarker fac-Re(CO)(3)(4,4'-dimethyl-2,2'-bpy)(E-2-((3-amino-pyridin-4-ylimino)-methyl)-4,6-di-tert-butylphenol)(PF6) Carre?o, Alexander; Gacit?a, Manuel; Arratia-P?rez, Ramiro Article ISI SCOPUS CHEMICAL PAPERS (2017)
Atomic force microscopy (AFM) and 3D confocal microscopy as alternative techniques for the morphological characterization of anodic TiO2 nanoporous layers Oyarznun, DP; Perez O.E.L.; Teijelo M.L.; Zuniga C.; Jeraldo, E; Arratia-Perez R. Article ISI SCOPUS MATERIALS LETTERS (2016)
Catalytic aspects of metallophthalocyanines adsorbed on gold-electrode. Theoretical exploration of the binding nature role Article ISI SCOPUS Physical Chemistry Chemical Physics (2016)
Fluorescence probes for prokaryotic and eukaryotic cells using Re(CO)(3)(+) complexes with an electron withdrawing ancillary ligand Peñaloza, Juan Pablo; Molins, Ellies; Swords, Wesley; Meyer, Gerald J.; Manríquez, Manuel Article ISI SCOPUS NEW JOURNAL OF CHEMISTRY (2016)
Improvement of photovoltaic performance by substituent effect of donor and acceptor structure of TPA-based dye-sensitized solar cells Inostroza N.; Mendizabal F.; Orellana C.; Linares-Flores C. Article ISI SCOPUS JOURNAL OF MOLECULAR MODELING (2016)
Insights into bonding interactions and excitation energies of 3d-4f mixed lanthanide transition metal macrocyclic complexes MURILLO-LÓPEZ, JULIANA A Article ISI SCOPUS Physical Chemistry Chemical Physics (2016)
Surface on Surface. Survey of the Monolayer Gold-Graphene Interaction from Au-12 and PAH via Relativistic DFT Calculations Gomez T.; Mendizabal F.; Zagal J.H. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY C (2016)
Theoretical and experimental characterization of a novel pyridine benzimidazole: suitability for fluorescence staining in cells and antimicrobial properties Carreno A.; Gacitua M.; Fuentes, J. A.; Araneda C.; Chavez I.; Manriquez J.M.; Polanco R.; Mora, G. C.; Otero C.; Swords W.B. Article ISI SCOPUS NEW JOURNAL OF CHEMISTRY (2016)
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-Perez R.; Mendizabal F. Article ISI SCOPUS RSC Advances (2016)
Aromatic Lateral Substituents Influence the Excitation Energies of Hexaaza Lanthanide Macrocyclic Complexes: A Wave Function Theory and Density Functional Study Rabanal-León, WA; Murillo-Lopez, JA; Paez-Hernandez D.; Arratia-Perez R. Article ISI SCOPUS Journal of Physical Chemistry A (2015)
Computational study of organo-cesium complexes and the possibility of lanthanide/actinide ions substitution Rabanal-León, WA; Martinez-Ariza, G; Roberts, SA; Hulme C.; Arratia-Perez R. Article ISI SCOPUS Chemical Physics Letters (2015)
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 Carreno A.; Gacitua M.; Schott E.; Zarate X.; Preite M.; Ladeira S; Castel, A; Pizarro N.; Vega A.; Chavez I.; et al. Article ISI SCOPUS New Journal of Chemistry (2015)
Exploring the nature of the excitation energies in [Re-6(mu(3)-Q(8))X-6](4-) clusters: a relativistic approach Rabanal-León, WA; Murillo-Lopez, JA; Paez-Hernandez D.; Arratia-Perez R. Article ISI SCOPUS Physical Chemistry Chemical Physics (2015)
Interaction of LD14 and TiO2 in dye-sensitized solar-cells (DSSC): A density functional theory study Mendizabal F.; Lopez A.; Arratia-Perez R.; Zapata-Torres G. Article ISI SCOPUS Computational and Theoretical Chemistry (2015)
Interaction of YD2 and TiO2 in dye-sensitized solar cells (DSSCs): a density functional theory study Mendizabal F.; Lopez A.; Arratia-Perez R.; Inostroza N.; Linares-Flores C. Article ISI SCOPUS Journal of Molecular Modeling (2015)
New Insights into Re-3(mu-Cl)(3)Cl-6 Aromaticity. Evidence of sigma- and pi-Diatropicity Vasquez-Espinal A.; Pino Rios, R.; Alvarez-Thon L.; Rabana-Leon, WA; Arratia-Perez R.; Tiznado W. Article ISI SCOPUS Journal of Physical Chemistry Letters (2015)
Spectral, theoretical characterization and antifungal properties of two phenol derivative Schiff bases with an intramolecular hydrogen bond Carreno A.; Gacitua M.; Paez-Hernandez D.; Polanco R.; Preite M.; Fuentes J.A.; Mora, GC; Chavez I.; Arratia-Perez R. Article ISI SCOPUS New Journal of Chemistry (2015)
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-Perez R.; Inostroza N.; Orellana C. Article ISI SCOPUS Chemical Physics Letters (2015)
The role of the [CpM(CO)(2)](-) chromophore in the optical properties of the [Cp2ThMCp(CO)(2)](+) complexes, where M = Fe, Ru and Os. A theoretical view Cantero-López, P; Le Bras, L; Paez-Hernandez D.; Arratia-Perez R. Article ISI SCOPUS Dalton Transactions (2015)
The Synthesis of Stable, Complex Organocesium Tetramic Acids through the Ugi Reaction and Cesium-Carbonate-Promoted Cascades Martinez-Ariza, G; Ayaz, M; Roberts, SA; Rabanal-León, WA; Arratia-Perez R.; Hulme C. Article ISI SCOPUS Angewandte Chemie - International Edition (2015)
Thermal Fluctuations on Forster Resonance Energy Transfer in Dyadic Solar Cell Sensitizers: A Combined Ab Initio Molecular Dynamics and TDDFT Investigation Urzua-Leiva, RA; Rampino, S; Arratia-Perez R.; Mosconi, E; Pastore, M; De Angelis, F Article ISI SCOPUS Journal of Physical Chemistry C (2015)
Covalent lanthanide(III) macrocyclic complexes: the bonding nature and optical properties of a promising single antenna molecule Paez-Hernandez D.; Arratia-Perez R. Article ISI SCOPUS Physical Chemistry Chemical Physics (2014)
Direct Spectroscopic Evidence for Constituent Heteroatoms Enhancing Charge Recombination at a TiO2-Ruthenium Dye Interface Hu K.; Koivisto B.D.; Robson, KCD; Schott E.; Arratia-Perez R.; Meyer G.J.; Berlinguette, CP Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY C (2014)
Electron transfer from the benzophenone triplet excited state directs the photochemical synthesis of gold nanoparticles McTiernan C.D.; Hallett-Tapley G.L.; Murillo-Lopez J.; Arratia-Perez R. Article ISI SCOPUS PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES (2014)
Intramolecular and Lateral Intermolecular Hole Transfer at the Sensitized TiO2 Interface Hu K.; Beauvilliers E.E.; Schott E.; Zarate X.; Arratia-Perez R. Article ISI SCOPUS JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
New mono and bimetallic iron complexes derived from partially methylated s-indacene. Evidence of a trinuclear iron s-indacene complex Morales-Verdejo C.; Martinez-Diaz, I; Adams C.; Araneda J.F.; Oehninger, L; Carey, DML; Munoz-Castro A.; Arratia-Perez R.; Chavez I. Article ISI Polyhedron (2014)
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.; Arratia-Perez R. Article ISI SCOPUS Chemical Physics Letters (2014)
Role of the main adsorption modes in the interaction of the dye [COOH-TPP-Zn(II)] on a periodic TiO2 slab exposing a rutile (110) surface in a dye-sentized solar cell Gomez, Tatiana; Zarate, Ximena; Schott, Eduardo; Arratia?Perez, Ramiro Article ISI SCOPUS RSC Advances (2014)
Understanding the Influence of Terminal Ligands on the Electronic Structure and Bonding Nature in [Re-6(mu(3)-Q(8))](2+) Clusters Rabanal-León, WA; Murillo-Lopez, JA; Paez-Hernandez D.; Arratia-Perez R. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2014)
A new heterobimetallic manganese-rhodium carbonyl complex derived from partially alkylated s-indacene Morales-Verdejo C.; Oehninger, L; Martinez-Diaz, I; Carey, DML; Arratia-Perez R.; Chavez I. Article ISI SCOPUS Inorganica Chimica Acta (2013)
Antenna Effect by Organometallic Chromophores in Bimetallic d-f Complexes Ferraro, F; Paez-Hernandez D.; Murillo-Lopez, JA; Munoz-Castro A.; Arratia-Perez R. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2013)
Correction to “Theoretical Study of Sensitizer Candidates for Dye-Sensitized Solar Cells: Peripheral Substituted Dizinc Pyrazinoporphyrazine–Phthalocyanine Complexes” Zarate, Ximena; Schott, Eduardo; Gomez, Tatiana Article JOURNAL OF PHYSICAL CHEMISTRY A (2013)
Effects of the peripheral substituents (-NH2, -OH, -CH3, -H, -C6H5, -Cl, -CO2H and -NO2) on molecular properties of a Ni-Porphyrazine dimers family Zarate X.; Schott E.; Arratia-Perez R. Article ISI SCOPUS Polyhedron (2013)
Molecular properties of two related families of substituted [Ru(2,2 ':6 ',2 ''-Terpyridine)(2)](2+) for application as sensitizers in dye-sensitized solar cells Schott E.; Zarate X.; Arratia-Perez R. Article ISI SCOPUS DYES AND PIGMENTS (2013)
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.; Munoz-Castro A.; Carey, DML; Adams C.; Arratia-Perez R.; Rojas R.; Chavez I. Article ISI SCOPUS Inorganica Chimica Acta (2013)
RELATIVISTIC-DFT STUDY OF THE ELECTRONIC STRUCTURE, BONDING AND ENERGETIC OF THE [ReF8](-) AND [UF8](2-) IONS Rabanal-León, WA; Arratia-Perez R. Article ISI JOURNAL OF THE CHILEAN CHEMICAL SOCIETY (2013)
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. Article ISI SCOPUS Polyhedron (2013)
Theoretical insights into the adsorption of neutral, radical and anionic thiophenols on gold(111) Miranda-Rojas S.; Munoz-Castro A.; Arratia-Perez R.; Mendizabal F. Article ISI SCOPUS Physical Chemistry Chemical Physics (2013)
Theoretical Study of Sensitizer Candidates for Dye-Sensitized Solar Cells: Peripheral Substituted Dizinc Pyrazinoporphyrazine-Phthalocyanine Complexes Zarate X.; Schott E.; Gomez T.; Arratia-Perez R. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2013)
A new method to radical anions derived from s-Indacene organobimetallic complexes, their ESR characterization MacLeod Carey D.; Adams C.; Munoz-Castro A.; Morales-Verdejo C.; Chavez I.; Manriquez J.M.; Castel, A; Riviere, P; Riviere-Baudet, M; Matioszek, D; et al. Article ISI SCOPUS Inorganica Chimica Acta (2012)
A Relativistic Study of the Electronic and Magnetic Properties of Cerocene and Thorocene and Its Anions Ferraro, F; Arratia-Perez R. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2012)
A TD-DFT basis set and density functional assessment for the calculation of electronic excitation energies of fluorene Vazquez P.A.M.; Macleod-Carey D.; Arratia-Perez R. Article ISI SCOPUS International Journal of Quantum Chemistry (2012)
Aromaticity, Optical Properties and Zero Field Splitting of Homo- and Hetero-bimetallic (C8H8)M(mu(2)-,eta(8)=C8H8)M(C8H8) where M = Ti, Zr, Th Complexes Paez-Hernandez D.; Arratia-Perez R. Article ISI SCOPUS Journal of Physical Chemistry A (2012)
Bonding, energetic, electronic delocalization and optical properties of MCp3 complexes, where M = Sc, Y, La, Ac, Lu, Ce, Yb and Th Ferraro, F; Arratia-Perez R. Article ISI SCOPUS Chemical Physics Letters (2012)
Charge transfer effects on the paramagnetic properties of the [M(C8H8)(2)] and M(C5H5)(C8H8); M = Ti, Zr, Hf and Th, complexes Paez-Hernandez D.; Arratia-Perez R. Article ISI SCOPUS POLYHEDRON (2012)
Electronic structure and molecular properties of paramagnetic hexanuclear Tantalum [Ta6X12Y6](3-) (X and Y = F, Cl, Br, I) cluster compounds Schott E.; Zarate X.; Arratia-Perez R. Article ISI SCOPUS Polyhedron (2012)
Enhancement of the Catalytic Activity of Fe Phthalocyanine for the Reduction of O-2 Anchored to Au(111) via Conjugated Self-Assembled Mono layers 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.; Munoz-Castro A.; et al. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY C (2012)
Methylation and the system-size effect over the structural, electronic, magnetic (NICS) and reactive properties of pentalene derivatives Barboza, E; Arratia-Perez R. Article ISI SCOPUS Chemical Physics Letters (2012)
Optical and Magnetic Properties of the Complex Bis(dicyclooctatetraenyl)diuranium. A Theoretical View Paez-Hernandez D.; Arratia-Perez R. Article ISI SCOPUS Organometallics (2012)
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-Perez R. Article ISI SCOPUS Polyhedron (2012)
Quantum Dynamical Simulations as a Tool for Predicting Photoinjection Mechanisms in Dye-Sensitized TiO2 Solar Cells Oviedo M.B.; Negre C.F.A.; Sanchez, C. G.; Zarate X.; Schott E.; Arratia-Perez R. Article ISI SCOPUS Journal of Physical Chemistry Letters (2012)
Reactivity of Dipyridyl Ditellurides with (Diphosphine)Pt-0 and 2-Pyridyltellurolates with (Diphosphine)PtCl2 and Isolation of Different Structural Motifs of Platinum(II) Complexes Kedarnath, G; Wadawale, A; Munoz-Castro A.; Arratia-Perez R. Article ISI SCOPUS Organometallics (2012)
Reinterpreting the Role of the Catalyst Formal Potential. The case of Thiocyanate Electrooxidation Catalyzed by CoN4-Macrocyclic Complexes Linares-Flores C.; Macleod-Carey D.; Munoz-Castro A.; Zagal J.H.; Pavez J.; Pino-Riffo D.; Arratia-Perez R. Article ISI SCOPUS Journal of Physical Chemistry C (2012)
Relativistic effects in bonding and isomerization energy of the superheavy roentgenium ((111)Rg) cyanide Munoz-Castro A.; Carey, DML; Arratia-Perez R.; Malli, GL Article ISI SCOPUS POLYHEDRON (2012)
Spin-orbit effects on a gold-based superatom: a relativistic Jellium model Munoz-Castro A.; Arratia-Perez R. Article ISI SCOPUS Physical Chemistry Chemical Physics (2012)
Substituents Effects on Two Related Families of Dyes for Dye Sensitized Solar Cells: [Ru(4,4 '-R,R-2,2 '-bpy)(3)](2+) and [Ru(4,4 '-COOH-2,2 '-bpy)(4,4 '-R,R-2,2 '-bpy)(2)](2+) Schott E.; Zarate X.; Arratia-Perez R. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2012)
Synthesis of CdTe QDs/single-walled aluminosilicate nanotubes hybrid compound and their antimicrobial activity on bacteria Geraldo D.A.; Arancibia-Miranda N.; Villagra N.A.; Mora, G. C.; Arratia-Perez R. Article ISI SCOPUS Journal of Nanoparticle Research (2012)
The aromaticity of the [Re-3(mu-X)(3)X-9](3-) clusters, X = Cl, Br, I Alvarado-Soto L.; Schott V E.; Zarate X.; Arratia-Perez R.; Ramirez-Tagle R. Article ISI SCOPUS Chemical Physics Letters (2012)
The paramagnetic and luminescent [Re6Se8I6](3-) cluster. Its potential use as an antitumoral and biomarker agent Echeverria C.; Becerra A.; Nunez-Villena, F; Munoz-Castro A.; Stehberg J.; Zheng Z.; Arratia-Perez R.; Simon F.; Ramirez-Tagle R. Article ISI SCOPUS New Journal of Chemistry (2012)
Theoretical study of 3,3 ' substitution of 9,9,9 ',9 '-tetramethyl-fluorene-dimers Arratia-Perez R. Article ISI SCOPUS Chemical Physics Letters (2012)
A DFT/TDDFT Study of Porphyrazines and Phthalocyanine Oxo-Titanium Derivatives as Potential Dyes in Solar Cells Zarate X.; Schott E.; Arratia-Perez R. Article ISI SCOPUS INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2011)
ADSORPTION ESSAYS OF PALLADIUM IN MODIFIED SILICA GEL WITH THIOURONIUM GROUPS: EXPERIMENTAL AND THEORICAL STUDIES Carreno A.; Schott E.; Zarate X.; Arratia-Perez R.; Vega, JC; Mardones M.; Chavez I. Article ISI SCIELO SCOPUS Journal of the Chilean Chemical Society (2011)
Bonding Nature and Electron Delocalization of An(COT)(2), An = Th, Pa, U Paez-Hernandez D.; Murillo-Lopez, JA; Arratia-Perez R. Article ISI SCOPUS Journal of Physical Chemistry A (2011)
Electronic structure and metal-metal communication in (CpM)(2)(as-indacene) and (CpM)(2)(s-indacene) (M = Mn, Fe, Co, Ni) complexes: a DFT investigation Garland, MT; Kahlal S.; Carey, DML; Arratia-Perez R.; Saillard J.Y. Article ISI SCOPUS New Journal of Chemistry (2011)
Geometrically Specific Imino Complexes of the [Re-6(mu(3)-Se)(8)](2+) Core-Containing Clusters Tu, XY; Truong, H; Alster E.; Munoz-Castro A.; Arratia-Perez R.; Nichol, GS; Zheng, ZP Article ISI SCOPUS Chemistry - A European Journal (2011)
New bis(azolylcarbonyl)pyridine chromium(III) complexes as initiators for ethylene polymerization Hurtado J.; Ugarte J.; Rojas R.; Valderrama M.; Carey, DML; Munoz-Castro A.; Arratia-Perez R.; Frohlich, R Article ISI SCOPUS Inorganica Chimica Acta (2011)
Optimizing the Electrocatalytic Activity of Surface Confined Co Macrocyclics for the Electrooxidation of Thiocyanate at pH 4 Sancy M.; Pavez J.; Gulppi, MA; De Mattos, IL; Arratia-Perez R.; Linares-Flores C.; Paez M.; Nyokong, T Article ISI SCOPUS Electroanalysis (2011)
Probing the aromaticity of the [(HtAc)(3)(mu(2)-H)(6)], [(HtTh)(3)(mu(2)-H)(6)],(+), and [(HtPa)(3)(mu(2)-H)(6)] clusters Ramirez-Tagle R.; Alvarado-Soto L.; Arratia-Perez R.; Bast R.; Alvarez-Thon L. Article ISI SCOPUS Journal of Chemical Physics (2011)
Relativistic calculations of aminotroponiminate complexes containing group 15 (P, As, Sb, Bi) elements Pop L.C.; Carey, DML; Munoz-Castro A.; Silaghi-Dumitrescu, L; Castel, A; Arratia-Perez R. Article ISI SCOPUS POLYHEDRON (2011)
Relativistic scalar and spin-orbit density functional calculations of the electronic structure, NICS index and ELF function of the [Re-2(CO)(8)(mu-BiPh)(2)] and [Re-2(CO)(8)(mu-BiPh2)(2)] clusters Schott E.; Zarate X.; Arratia-Perez R. Article ISI SCOPUS Polyhedron (2011)
Spin-orbit effects on the optical and magnetic properties of cerium (III) hexahalides Ferraro, F; Arratia-Perez R. Article ISI SCOPUS Polyhedron (2011)
Theoretical and Experimental Study of Bonding and Optical Properties of Self-Assembly Metallophthalocyanines Complexes on a Gold Surface. A Survey of the Substrate-Surface Interaction Ponce I.; Oñate, R; Miranda-Rojas S.; Munoz-Castro A.; Arratia-Perez R.; Mendizabal F. Article ISI SCOPUS Journal of Physical Chemistry C (2011)
[CpRu(s-indacene)RuCp] and [CpRu(s-indacene)RuCp](+): Experimental and theoretical findings concerning the electronic structure of neutral and mixed valence organometallic systems Carey, DML; Morales-Verdejo C.; Munoz-Castro A.; Burgos F.; Abril D.; Adams C.; Molins E.; Cador O.; Chavez I.; Arratia-Perez R.; et al. Article ISI SCOPUS POLYHEDRON (2010)
Calculated Molecular Properties of Triangular Tribenzo and Perfluoro-Tribenzo Trimercuronin Macrocycles Munoz-Castro A.; Carey, DM; Arratia-Perez R. Article ISI SCOPUS Journal of Physical Chemistry A (2010)
Cluster-Bound Nitriles Do Not Click with Organic Azides: Unexpected Formation of Imino Complexes of the [Re-6(mu(3)-Se)(8)](2+) Core-Containing Clusters Tu, XY; Boroson, E; Truong, H; Munoz-Castro A.; Arratia-Perez R.; Nichol, GS; Zheng, ZP Article ISI SCOPUS Inorganic Chemistry (2010)
DEDICATED TO DR. PABLO DOBUD URQUETA Ramirez-Tagle R.; Alvarado-Soto L.; Hernandez-Acevedo L.; Arratia-Perez R. Article ISI JOURNAL OF THE CHILEAN CHEMICAL SOCIETY (2010)
DFT study on the electronic structure, energetics and spectral properties of several bis(organohydrazido(2-)) molybdenum complexes containing substituted phosphines and chloro atoms as ancillary ligands Zarate X.; Schott E.; Carey, DML; Bustos C.; Arratia-Perez R. Article ISI SCOPUS JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2010)
DFT-modeling of the tungsten (V) cofactor of hyperthermophilic Pyrococcus furiosus tungsto-bispterin enzyme via the calculated EPR parameters Veloso-Bahamonde, R; Ramirez-Tagle R.; Arratia-Perez R. Article ISI SCOPUS Chemical Physics Letters (2010)
Electronic Delocalization, Energetics, and Optical Properties of Tripalladium Ditropylium Halides, [Pd-3(C7H7)(2)X-3](1-) (X = Cl-, Br-, and I-) Munoz-Castro A.; Arratia-Perez R. Article ISI SCOPUS Journal of Physical Chemistry A (2010)
Heterobimetallic Re=Pd complexes bridged by eta(1):eta(5)-Ph2PC5H4 ligand. Synthesis, electronic and crystal structure of (CO)(2)(PR3)(eta(5)-C5H4(PPh2)Re-P)over bardCl(2), R = Me and OMe Sierra D.; Ramirez-Tagle R.; Arratia-Perez R.; Godoy F.; Garland, MT; Fuentealba M. Article ISI SCOPUS Dalton Transactions (2010)
Inside a Superatorn: TheM(7)(q) (M = Cu, Ag, q=1+, 0, 1-) Case Munoz-Castro A.; Carey, DML; Arratia-Perez R. Article ISI SCOPUS ChemPhysChem (2010)
Oxidative Perhydroxylation of [closo-B12H12](2-) to the Stable Inorganic Cluster Redox System [B-12(OH)(12)](2-/.-): Experiment and Theory Van, N; Tiritiris, I; Winter, RF; Sarkar B.; Singh P.; Duboc, C; Munoz-Castro A.; Arratia-Perez R.; Kaim W.; Schleid, T Article ISI SCOPUS Chemistry - A European Journal (2010)
Quantum relativistic investigation about the coordination and bonding effects of different ligands on uranyl complexes Paez-Hernandez D.; Ramirez-Tagle R.; Codorniu-Hernandez, E; Montero-Cabrera, LA; Arratia-Perez R. Article ISI SCOPUS POLYHEDRON (2010)
Relativistic electronic structure of cadmium(II) multidecker phthalocyanine compounds Munoz-Castro A.; Carey, DML; Arratia-Perez R. Article ISI SCOPUS POLYHEDRON (2010)
Spin-orbit effects on electronic delocalization. Aromaticity in a discrete square tetrapalladium sandwich complex Munoz-Castro A.; Carey, DML; Arratia-Perez R. Article ISI SCOPUS Journal of Chemical Physics (2010)
Tellurium(0) as a Ligand: Synthesis and Characterization of 2-Pyridyltellurolates of Platinum(II) and Structures of [Pt{2-Te-3-(R)C5H3N}(2)Te(PR '(3))] (R = H or Me) Chauhan, RS; Kedarnath, G; Wadawale, A; Munoz-Castro A.; Arratia-Perez R.; Jain, VK; Kaim W. Article ISI SCOPUS Inorganic Chemistry (2010)
Toward the Synthetic Control of the HOMO-LUMO Gap in Binuclear Systems: Insights from Density Functional Calculations Munoz-Castro A.; Carey, DML; Morales-Verdejo C.; Chavez I.; Mariquez, JM; Arratia-Perez R. Article ISI SCOPUS Inorganic Chemistry (2010)
Chromium(III) complexes with terdentate 2,6-bis(azolylmethyl)pyridine ligands: Synthesis, structures and ethylene polymerization behavior Hurtado J.; Carey, DML; Munoz-Castro A.; Arratia-Perez R.; Quijada R.; Wu G.; Rojas R.; Valderrama M. Article ISI SCOPUS Journal of Organometallic Chemistry (2009)
Electronic structure and molecular properties of binuclear group VII pentalene metal carbonyl complexes [C8H6{M(CO3)}(2)] (M = Mn, Tc, Re, Bh): A relativistic density functional theory study Munoz-Castro A.; Carey, DML; Arratia-Perez R. Article ISI SCOPUS Polyhedron (2009)
Electronic Structure and Molecular Properties of the Mixed Rhenium-Molybdenum [Re6-x Mo (x) S-8(CN)(6)](q-), (x=0 to 6) Clusters Ramirez-Tagle R.; Arratia-Perez R. Article ISI SCOPUS Journal of Cluster Science (2009)
Electronic structure, molecular properties and electronic currents of the luminescent [Au-3(CH3N=COCH3)(3)] cluster Munoz-Castro A.; Carey, DML; Arratia-Perez R. Article ISI SCOPUS Chemical Physics Letters (2009)
Pyridine as axial ligand on the [Mo6Cl8](4+) core switches off luminescence Ramirez-Tagle R.; Arratia-Perez R. Article ISI SCOPUS Chemical Physics Letters (2009)
SYNTHESIS, CHARACTERIZATION OF A NEW CARBONYLATED ZIRCONIUM METALLOCENE USING A DICHLORO-ZIRCONOCENE DERIVED FROM PARTIALLY ALKYLATED S-INDACENE Araneda J.F.; Salinas S.; Macleod-Carey D.; Munoz-Castro A.; Arratia-Perez R.; Adams C.; Chavez I. Article ISI SCIELO SCOPUS JOURNAL OF THE CHILEAN CHEMICAL SOCIETY (2009)
Cluster carbonyls of the [Re(6)(mu(3)-Se)(8)](2+) core: synthesis, structural characterization, and computational analysis Orto, PJ; Nichol, GS; Okumura, N; Evans, DH; Arratia-Perez R.; Ramirez-Tagle R.; Wang, RY; Zheng, ZP Article ISI SCOPUS DALTON TRANSACTIONS (2008)
Electronic structure and molecular properties of the [Mo6X8L6]2-; X = Cl, Br, I; L = F, Cl, Br, I clusters Ramirez-Tagle R.; Arratia-Perez R. Article ISI SCOPUS Chemical Physics Letters (2008)
Ground state of octahedral platinum hexafluoride Alvarez-Thon L.; David J.; Arratia-Perez R.; Seppelt, K Article ISI PHYSICAL REVIEW A (2008)
Spin-orbit effects on the aromaticity of the Re3Cl9 and Re3Br9 clusters Alvarado-Soto L.; Ramirez-Tagle R.; Arratia-Perez R. Article ISI SCOPUS Chemical Physics Letters (2008)
The luminescent [Mo6X8(NCS)(6)](2-) ( X = Cl, Br, I) clusters?: A computational study based on time-dependent density functional theory including spin-orbit and solvent-polarity effects Ramirez-Tagle R.; Arratia-Perez R. Article ISI SCOPUS Chemical Physics Letters (2008)
pi-donor/acceptor effect on lindqvist type polyoxomolibdates because of various multiple-bonded nitrogenous ligands Carey, DML; Munoz-Castro A.; Arratia-Perez R. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Electronic structure and molecular properties of the heptacyanorhenate [Re(CN)(7)](3-) and [Re(CN)(7)](4-) complexes David J.; Mendizabal F.; Arratia-Perez R. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Electronic structure and molecular properties of the octacyanorhenate [Re(CN)(8)](3-) and [Re(CN)(8)](2-) complexes David J.; Mendizabal F.; Arratia-Perez R. Article ISI SCOPUS Chemical Physics Letters (2006)
Relativistic molecular orbital study of the optical and magnetic properties of hexachloro protactinate (IV): PaCl62- Arratia-Perez R.; Malli, GL Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2006)
Calculated geometry and paramagnetic hyperfine structure of the Cu-7 cluster Arratia-Perez R.; Alvarez-Thon L.; Fuentealba P. Article ISI Chemical Physics Letters (2004)
Calculated optical and magnetic properties of hexafluorouranate(V) anion: UF6- Arratia-Perez R.; Hernandez-Acevedo L.; Malli, GL Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2004)
Electronic structure and bonding of the [W6S8(CN)(6)](6-) cluster anion Murana, RS; Hernandez-Acevedo L.; Arratia-Perez R. Article ISI SCOPUS Chemical Physics Letters (2004)
Spin-orbit effects in metal-metal multiple bonded M2X 8 halide complexes Hernandez-Acevedo L.; Arratia-Perez R. Article SCOPUS JOURNAL OF THE CHILEAN CHEMICAL SOCIETY (2004)
Calculated paramagnetic resonance parameters (g,A(hfi)) of the Re6S8Br63-, Re6S8I63-, and Re6Se8I63- cluster ions Arratia-Perez R.; Hernandez-Acevedo L. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2003)
Relativistic electronic structure of molecular precursors: The case of the [Re(6)Q(8)(Cn)(6)(4)-/Re(6)Q(8)(Cn)(6)(3)-](Q = S, Se) redox couples Hernandez-Acevedo L.; Arratia-Perez R. Article ISI JOURNAL OF THE CHILEAN CHEMICAL SOCIETY (2003)
Relativistic electronic structure of molecular precursors: The case of the [RE6Q8(CN)64-/RE6Q 8(CN)63-] (Q = S, SE) redox couples Hernandez-Acevedo L.; Arratia-Perez R. Article SCOPUS JOURNAL OF THE CHILEAN CHEMICAL SOCIETY (2003)
Calculated paramagnetic resonance parameters of the luminescent Re6S8Cl63- cluster ion Alvarez-Thon L.; Hernandez-Acevedo L.; Arratia-Perez R. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2001)


INOR 736-The Jahn-Teller effect in [M@Au12]q and [M@Pb12]q icosahedral cage clusters as interpreted by Dirac cluster calculations Arratia-Perez R.; Hernandez-Acevedo L. Abstract ISI ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (2007)
A theoretical study on [W(6)Q(8)(CN)(6)]((6-)) and [Re(6)Q(8)(CN)(6)]((4-)), Q = S, Se, cluster ions. Arratia-Perez R.; Hernandez-Acevedo L. Abstract ISI ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (2002)
Relativistic electronic structure of the luminescent hexarhenium chalcogenide cluster ions. Arratia-Perez R.; Alvarez-Thon L.; Hernandez-Acevedo L. Abstract ISI ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (2001)


Theoretical aspects of the reactivity of MN4 macrocyclics in electrochemical reactions BookWhole SCOPUS Electrochemistry of N4 Macrocyclic Metal Complexes: Volume 1: Energy, Second Edition (2016)


Reply to "Comment on 'Ground state of octahedral platinum hexafluoride' " Alvarez-Thon L.; Arratia-Perez R.; Seppelt, K Letter ISI SCOPUS PHYSICAL REVIEW A (2009)
Spin-Orbit Effects on the Aromaticity of the Re3X92- (X = Cl, Br) Cluster Ions Alvarado-Soto L.; Ramirez-Tagle R.; Arratia-Perez R. Letter ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2009)

José Pérez

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Universidad San Sebastián

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