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1983 …2019
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Research Output 1983 2019

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Article
2012
1 Citation (Scopus)

Theoretical study of 3,3′ substitution of 9,9,9′,9′- tetramethyl-fluorene-dimers

Barboza, C. A., Arratia-Pérez, R. & Carey, D. M. L., 11 Jun 2012, In : Chemical Physics Letters. 538, p. 67-71 5 p.

Research output: Contribution to journalArticle

Dimers
Ground state
Substitution reactions
dimers
substitutes
35 Citations (Scopus)

The paramagnetic and luminescent [Re 6Se 8I 6] 3- cluster. Its potential use as an antitumoral and biomarker agent

Echeverría, C., Becerra, A., Nuñez-Villena, F., Muñoz-Castro, A., Stehberg, J., Zheng, Z., Arratia-Perez, R., Simon, F. & Ramírez-Tagle, R., Apr 2012, In : New Journal of Chemistry. 36, 4, p. 927-932 6 p.

Research output: Contribution to journalArticle

Biomarkers
Cell death
Endothelial cells
Antineoplastic Agents
Tumors
2 Citations (Scopus)

Trans-Bis[1,2-bis(diphenylphosphanyl)ethane]chlorido(ethynyl)ruthenium(II)

Trujillo, A., Fuentealba, M., Arratia-Perez, R. & Howard, J. A. K., Dec 2012, In : Acta Crystallographica Section E: Structure Reports Online. 68, 12

Research output: Contribution to journalArticle

Ethane
Ruthenium
ethane
ruthenium
Ligands
2011
15 Citations (Scopus)

A DFT/TDDFT study of porphyrazines and phthalocyanine oxo-titanium derivatives as potential dyes in solar cells

Zarate, X., Schott, E. & Arratia-Pérez, R., Dec 2011, In : International Journal of Quantum Chemistry. 111, 15, p. 4186-4196 11 p.

Research output: Contribution to journalArticle

Molecular orbitals
Titanium
Discrete Fourier transforms
Solar cells
molecular orbitals
3 Citations (Scopus)

Adsorption essays of palladium in modified silica gel with thiouronium groups: Experimental and theorical studies

Alexander, C. G., Eduardo, S. V., Ximena, Z. B., Arratia-Perez, R., Juan, C. V. D. K., Miguel, M. L., Juan, M. M. M. & Ivonne, C. M., 14 Sep 2011, In : Journal of the Chilean Chemical Society. 56, 2, p. 692-696 5 p.

Research output: Contribution to journalArticle

Silica Gel
Palladium
Adsorption
Metals
Thiourea
19 Citations (Scopus)

Bonding nature and electron delocalization of An(COT)2, An = Th, Pa, U

Páez-Hernández, D., Murillo-López, J. A. & Arratia-Pérez, R., 18 Aug 2011, In : Journal of Physical Chemistry A. 115, 32, p. 8997-9003 7 p.

Research output: Contribution to journalArticle

actinide series
Actinoid Series Elements
Excitation energy
density functional theory
Density functional theory
5 Citations (Scopus)

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, M. T., Kahlal, S., Carey, D. M. L., Arratia-Pérez, R., Manríquez, J. M. & Saillard, J. Y., Oct 2011, In : New Journal of Chemistry. 35, 10, p. 2136-2145 10 p.

Research output: Contribution to journalArticle

Discrete Fourier transforms
Electronic structure
Metals
Communication
Cations
15 Citations (Scopus)

Geometrically specific imino complexes of the [Re63-Se)8]2+ core-containing clusters

Tu, X., Truong, H., Alster, E., Muñoz-Castro, A., Arratia-Pérez, R., Nichol, G. S. & Zheng, Z., 10 Jan 2011, In : Chemistry - A European Journal. 17, 2, p. 580-587 8 p.

Research output: Contribution to journalArticle

Azides
Atoms
Nitriles
Ground state
Nuclear magnetic resonance spectroscopy
12 Citations (Scopus)

New bis(azolylcarbonyl)pyridine chromium(III) complexes as initiators for ethylene polymerization

Hurtado, J., Ugarte, J., Rojas, R., Valderrama, M., Mac-Leod Carey, D., Muñoz-Castro, A., Arratia-Pérez, R. & Fröhlich, R., 30 Nov 2011, In : Inorganica Chimica Acta. 378, 1, p. 218-223 6 p.

Research output: Contribution to journalArticle

Chromium
initiators
Pyridine
chromium
pyridines
11 Citations (Scopus)

Optimizing the Electrocatalytic Activity of Surface Confined Co Macrocyclics for the Electrooxidation of Thiocyanate at pH4

Sancy, M., Pavez, J., Gulppi, M. A., deMattos, I. L., Arratia-Perez, R., Linares-Flores, C., Paez, M., Nyokong, T. & Zagal, J. H., 1 Mar 2011, In : Electroanalysis. 23, 3, p. 711-718 8 p.

Research output: Contribution to journalArticle

Graphite electrodes
Volcanoes
Electrooxidation
Catalyst activity
Oxidation
14 Citations (Scopus)

Probing the aromaticity of the (HtAc)3( 2-H)6, (HtTh)3(2-H) 6 and (HtPa)3(2-H)6 clusters

Ramrez-Tagle, R., Alvarado-Soto, L., Arratia-Perez, R., Bast, R. & Alvarez-Thon, L., 14 Sep 2011, In : Journal of Chemical Physics. 135, 10, 104506.

Research output: Contribution to journalArticle

Chemical shift
Current density
Induced currents
Protactinium
current density
6 Citations (Scopus)

Relativistic calculations of aminotroponiminate complexes containing group 15 (P, As, Sb, Bi) elements

Pop, L. C., Mac-Leod Carey, D., Muñoz-Castro, A., Silaghi-Dumitrescu, L., Castel, A. & Arratia-Pérez, R., 24 Mar 2011, In : Polyhedron. 30, 5, p. 841-845 5 p.

Research output: Contribution to journalArticle

Atoms
Chemical shift
chemical equilibrium
atoms
rings
8 Citations (Scopus)
Chemical shift
Carbon Monoxide
Electronic structure
Density functional theory
chemical equilibrium
4 Citations (Scopus)

Spin-orbit effects on the optical and magnetic properties of cerium (III) hexahalides

Ferraro, F. & Arratia-Pérez, R., 24 Mar 2011, In : Polyhedron. 30, 5, p. 860-863 4 p.

Research output: Contribution to journalArticle

Cerium
cerium
Magnetic properties
Orbits
Optical properties
2010
18 Citations (Scopus)

[Cp*Ru(s-indacene)RuCp*] and [Cp*Ru(s-indacene)RuCp*]+: Experimental and theoretical findings concerning the electronic structure of neutral and mixed valence organometallic systems

Mac-Leod Carey, D., Morales-Verdejo, C., Muñoz-Castro, A., Burgos, F., Abril, D., Adams, C., Molins, E., Cador, O., Chávez, I., Manríquez, J. M., Arratia-Pérez, R. & Saillard, J. Y., 19 Feb 2010, In : Polyhedron. 29, 3, p. 1137-1143 7 p.

Research output: Contribution to journalArticle

Organometallics
Electronic structure
Density functional theory
Ligands
electronic structure
7 Citations (Scopus)

Calculated molecular properties of triangular tribenzo and perfluoro-tribenzo trimercuronin macrocycles

Alvaro, M. C. A., Carey, D. M. L. & Ramiro, A. P., 14 Jan 2010, In : Journal of Physical Chemistry A. 114, 1, p. 666-672 7 p.

Research output: Contribution to journalArticle

molecular properties
Orbits
solid state
Point groups
Lewis Acids
13 Citations (Scopus)

Cluster-bound nitriles do not click with organic azides: Unexpected formation of imino complexes of the [Re63-Se) 8]2+ core-containing clusters

Tu, X., Boroson, E., Truong, H., Muñoz-Castro, A., Arratia-Pérez, R., Nichol, G. S. & Zheng, Z., 18 Jan 2010, In : Inorganic Chemistry. 49, 2, p. 380-382 3 p.

Research output: Contribution to journalArticle

azides (organic)
Nitriles
Azides
nitriles
Ligands
1 Citation (Scopus)

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-Pérez, R., 17 May 2010, In : Chemical Physics Letters. 491, 4-6, p. 214-217 4 p.

Research output: Contribution to journalArticle

Tungsten
Discrete Fourier transforms
Paramagnetic resonance
enzymes
tungsten
4 Citations (Scopus)
Phosphines
phosphine
Molybdenum
phosphines
Discrete Fourier transforms
27 Citations (Scopus)
halides
Optical properties
Ligands
optical properties
ligands
7 Citations (Scopus)

Heterobimetallic RePd complexes bridged by η1: η5-Ph2PC5H4 ligand. Synthesis, electronic and crystal structure of (CO)2(PR3) (η5-C5H4PPh2)Re-PdCl 2, R = Me and OMe

Sierra, D., Klahn, A. H., Ramirez-Tagle, R., Arratia-Perez, R., Godoy, F., Teresa Garland, M. & Fuentealba, M., 2010, In : Dalton Transactions. 39, 27, p. 6295-6301 7 p.

Research output: Contribution to journalArticle

Electronic structure
Crystal structure
Ligands
Rhenium
X ray crystallography
23 Citations (Scopus)

Inside a superatom: The M7q (M=Cu, Ag, q=1+, 0, 1-) case

Muñoz-Castro, A., Carey, D. M. L. & Arratia-Pérez, R., 22 Feb 2010, In : ChemPhysChem. 11, 3, p. 646-650 5 p.

Research output: Contribution to journalArticle

Orbits
Point groups
Hamiltonians
Crystal symmetry
Chemical shift
27 Citations (Scopus)

Oxidative perhydroxylation of [closo-B12H12\ 2 to the stable inorganic cluster redox system [B12(OH) 12]2-/.-: Experiment and theory

Van, N., Tiritiris, I., Winter, R. F., Sarkar, B., Singh, P., Duboc, C., Muñoz-Castro, A., Arratia-Pérez, R., Kaim, W. & Schleid, T., 4 Oct 2010, In : Chemistry - A European Journal. 16, 37, p. 11242-11245 4 p.

Research output: Contribution to journalArticle

Cesium
Anions
Negative ions
Salts
Ions
17 Citations (Scopus)

Quantum relativistic investigation about the coordination and bonding effects of different ligands on uranyl complexes

Páez-Hernández, D., Ramírez-Tagle, R., Codorniu-Hernández, E., Montero-Cabrera, L. A. & Arratia-Pérez, R., 19 Feb 2010, In : Polyhedron. 29, 3, p. 975-984 10 p.

Research output: Contribution to journalArticle

Cyanides
Density functional theory
Ligands
Hamiltonians
ligands
4 Citations (Scopus)

Relativistic electronic structure of cadmium(II) multidecker phthalocyanine compounds

Muñoz-Castro, A., Mac-Leod Carey, D. & Arratia-Pérez, R., 13 Jan 2010, In : Polyhedron. 29, 1, p. 451-455 5 p.

Research output: Contribution to journalArticle

Cadmium
cadmium
Electronic structure
Orbits
electronic structure
8 Citations (Scopus)

Spin-orbit and solvent effects in the luminescent [Re6Q 8(NCS)6]4-, Q = S, Se, Te clusters: Molecular sensors and molecular devices

Ramírez-Tagle, R., Alvarado-Soto, L., Hernández-Acevedo, L. & Arratia-Pérez, R., 1 Jan 2010, In : Journal of the Chilean Chemical Society. 55, 1, p. 39-43 5 p.

Research output: Contribution to journalArticle

Orbits
Molecular electronics
Sensors
Density functional theory
Ligands
28 Citations (Scopus)

Spin-orbit effects on electronic delocalization. Aromaticity in a discrete square tetrapalladium sandwich complex

Muoz-Castro, A., Mac-Leod Carey, D. & Arratia-Ṕrez, R., 28 Apr 2010, In : Journal of Chemical Physics. 132, 16, 164308.

Research output: Contribution to journalArticle

Orbits
Ligands
orbits
ligands
carbon nanotubes
27 Citations (Scopus)

Tellurium(0) as a ligand: Synthesis and characterization of 2-pyridyltellurolates of platinum(II) and structures of [Pt{2-Te-3-(R)C 5H3N}2Te(PR′3)] (R = H or Me)

Chauhan, R. S., Kedarnath, G., Wadawale, A., Muñoz-Castro, A., Arratia-Perez, R., Jain, V. K. & Kaim, W., 3 May 2010, In : Inorganic Chemistry. 49, 9, p. 4179-4185 7 p.

Research output: Contribution to journalArticle

Tellurium
tellurium
Platinum
platinum
Ligands
9 Citations (Scopus)

Toward the synthetic control of the HOMO-LUMO gap in binuclear systems: Insights from density functional calculations

Muñoz-Castro, A., Mac-Leod Carey, D., Morales-Verdejo, C., Chávez, I., Manríquez, J. M. & Arratia-Pérez, R., 3 May 2010, In : Inorganic Chemistry. 49, 9, p. 4175-4178 4 p.

Research output: Contribution to journalArticle

Density functional theory
Molecular electronics
molecular electronics
Organometallics
Computational methods
2009
21 Citations (Scopus)

Electronic structure, molecular properties and electronic currents of the luminescent [Au3(CH3N{double bond, long}COCH3)3] cluster

Muñoz-Castro, A., Mac-Leod Carey, D. & Arratia-Pérez, R., 4 Jun 2009, In : Chemical Physics Letters. 474, 4-6, p. 290-293 4 p.

Research output: Contribution to journalArticle

molecular electronics
molecular properties
Gold
Electronic structure
electronic structure
10 Citations (Scopus)
molecular properties
Carbon Monoxide
Electronic structure
Density functional theory
Orbits
5 Citations (Scopus)

Electronic structure and molecular properties of the mixed rhenium-molybdenum [Re6-x Mo x S8(CN) 6]q-, (x = 0 to 6) Clusters

Ramírez-Tagle, R. & Arratia-Pérez, R., 1 Mar 2009, In : Journal of Cluster Science. 20, 1, p. 159-164 6 p.

Research output: Contribution to journalArticle

Rhenium
Molybdenum
molecular properties
rhenium
Orbit
21 Citations (Scopus)

Pyridine as axial ligand on the [Mo6Cl8]4+ core switches off luminescence

Ramirez-Tagle, R. & Arratia-Pérez, R., 25 Jun 2009, In : Chemical Physics Letters. 475, 4-6, p. 232-234 3 p.

Research output: Contribution to journalArticle

Luminescence
pyridines
switches
Switches
luminescence
2 Citations (Scopus)

Reply to "comment on 'ground state of octahedral platinum hexafluoride'"

Alvarez-Thon, L., Arratia-Pérez, R. & Seppelt, K., 1 May 2009, In : Physical Review A - Atomic, Molecular, and Optical Physics. 79, 5, 056502.

Research output: Contribution to journalArticle

indication
platinum
electrostatics
ground state
configurations
27 Citations (Scopus)

Spin-orbite effects on the aromaticity of the Re3X 9 2- (X = CI, Br) cluster ions

Alvarado-Soto, L., Ramírez-Tagle, R. & Arratia-Pérez, R., 5 Mar 2009, In : Journal of Physical Chemistry A. 113, 9, p. 1671-1673 3 p.

Research output: Contribution to journalArticle

Orbits
Ions
Benzene
scalars
Anions
3 Citations (Scopus)

Synthesis, characterization of a new carbonylated zirconium metallocene using a dichloro-zirconocene derived from partially alkylated s-indacene

Araneda, J. F., Salinas, S., Mac-Leod-Carey, D., Muñoz-Castro, A., Arratia-Perez, R., Adams, C., Chávez, I. & Manríquez, J. M., 1 Dec 2009, In : Journal of the Chilean Chemical Society. 54, 3, p. 269-273 5 p.

Research output: Contribution to journalArticle

Bearings (structural)
Mercuric Chloride
Organometallics
Ligands
Zirconocene dichloride
2008
12 Citations (Scopus)

Cluster carbonyls of the [Re63-Se) 8]2+ core: Synthesis, structural characterization, and computational analysis

Orto, P. J., Nichol, G. S., Okumura, N., Evans, D. H., Arratia-Pérez, R., Ramirez-Tagle, R., Wang, R. & Zheng, Z., 2008, In : Dalton Transactions. 32, p. 4247-4253 7 p.

Research output: Contribution to journalArticle

Carbon Monoxide
Oxidation
Ligands
Molecular orbitals
Carrier concentration
44 Citations (Scopus)

Electronic structure and molecular properties of the [Mo6X8L6]2-; X = Cl, Br, I; L = F, Cl, Br, I clusters

Ramirez-Tagle, R. & Arratia-Pérez, R., 30 Jul 2008, In : Chemical Physics Letters. 460, 4-6, p. 438-441 4 p.

Research output: Contribution to journalArticle

molecular properties
Electronic structure
electronic structure
Iodides
Excited states
32 Citations (Scopus)

Ground state of octahedral platinum hexafluoride

Alvarez-Thon, L., David, J., Arratia-Pérez, R. & Seppelt, K., 1 Jan 2008, In : Physical Review A. 77, 3, 034502.

Research output: Contribution to journalArticle

platinum
ground state
spin-orbit interactions
molecules
Jahn-Teller effect
34 Citations (Scopus)

Spin-orbit effects on the aromaticity of the Re3Cl9 and Re3Br9 clusters

Alvarado-Soto, L., Ramírez-Tagle, R. & Arratia-Pérez, R., 15 Dec 2008, In : Chemical Physics Letters. 467, 1-3, p. 94-96 3 p.

Research output: Contribution to journalArticle

Orbits
scalars
orbits
Chemical shift
relativistic effects
23 Citations (Scopus)
Density functional theory
polarity
Orbits
density functional theory
orbits
2007
15 Citations (Scopus)

π-Donor/acceptor effect on Lindqvist type polyoxomolibdates because of various multiple-bonded nitrogenous ligands

Carey, D. M. L., Muñoz-Castro, A., Bustos, C. J., Manríquez, J. M. & Arratia-Pérez, R., 19 Jul 2007, In : Journal of Physical Chemistry A. 111, 28, p. 6563-6567 5 p.

Research output: Contribution to journalArticle

Ligands
ligands
reactivity
Chemical potential
hardness
2006
6 Citations (Scopus)

Electronic structure and molecular properties of the heptacyanorhenate [Re(CN)7]3- and [Re(CN)7]4- complexes

David, J., Mendizábal, F. & Arratia-Pérez, R., 26 Feb 2006, In : Journal of Physical Chemistry A. 110, 3, p. 1072-1077 6 p.

Research output: Contribution to journalArticle

molecular properties
Electronic structure
Orbits
electronic structure
Electronegativity
4 Citations (Scopus)

Electronic structure and molecular properties of the octacyanorhenate [Re(CN)8]3- and [Re(CN)8]2- complexes

David, J., Mendizábal, F. & Arratia-Pérez, R., 28 Apr 2006, In : Chemical Physics Letters. 422, 1-3, p. 89-94 6 p.

Research output: Contribution to journalArticle

molecular properties
Electronic structure
electronic structure
Density functional theory
Tensors
2 Citations (Scopus)
Molecular orbitals
Magnetic properties
molecular orbitals
Optical properties
magnetic properties
2004
8 Citations (Scopus)

Calculated geometry and paramagnetic hyperfine structure of the Cu7 cluster

Arratia-Pérez, R., Alvarez-Thon, L. & Fuentealba, P., 21 Oct 2004, In : Chemical Physics Letters. 397, 4-6, p. 408-411 4 p.

Research output: Contribution to journalArticle

hyperfine structure
Geometry
geometry
Discrete Fourier transforms
functionals
29 Citations (Scopus)

Calculated optical and magnetic properties of hexafluorouranate (V) anion: UF6 -

Arratia-Pérez, R., Hernandez-Acevedo, L. & Malli, G. L., 22 Oct 2004, In : Journal of Chemical Physics. 121, 16, p. 7743-7747 5 p.

Research output: Contribution to journalArticle

Wave functions
Anions
Magnetic properties
Optical properties
magnetic properties

Electronic structure and bonding of the [W6S8(CN) 6]6- cluster anion

Sienra Muraña, R., Hernandez-Acevedo, L. & Arratia-Pérez, R., 21 Jul 2004, In : Chemical Physics Letters. 393, 1-3, p. 277-281 5 p.

Research output: Contribution to journalArticle

Electronic structure
Anions
Ions
electronic structure
anions
4 Citations (Scopus)

Spin-orbit effects in metal-metal multiple bonded M2X 8 halide complexes

Hernández-Acevedo, L. & Arratia-Pérez, R., Dec 2004, In : Journal of the Chilean Chemical Society. 49, 4, p. 361-365 5 p.

Research output: Contribution to journalArticle

Orbits
Metals
Isomers
Ions
Ligands
2003
38 Citations (Scopus)

Calculated paramagnetic resonance parameters (g,Ahfi) of the Re6S8Br6 3-, Re6S8I6 3-, and Re6Se8I6 3- cluster ions

Arratia-Pérez, R. & Hernandez-Acevedo, L., 22 Apr 2003, In : Journal of Chemical Physics. 118, 16, p. 7425-7430 6 p.

Research output: Contribution to journalArticle

paramagnetic resonance
Molecular orbitals
Paramagnetic resonance
Ions
Excited states