• 2039 Citations
  • 23 h-Index
1983 …2019
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Research Output 1983 2019

2019
2 Citations (Scopus)

Advances in bonding and properties of inorganic systems from relativistic calculations in Latin America

Macleod-Carey, D., Caramori, G. F., Guajardo-Maturana, R., Paez-Hernandez, D., Muñoz-Castro, A. & Arratia-Perez, R., 15 Jan 2019, In : International Journal of Quantum Chemistry. 119, 2, e25777.

Research output: Contribution to journalReview article

Magnetic properties
Optical properties
methodology
Atoms
relativistic effects

Catalytic activity of a new Ru(ii) complex for the hydrogen transfer reaction of acetophenone and: N -benzylideneaniline: Synthesis, characterization and relativistic DFT approaches

Pérez-Zúñiga, C., Negrete-Vergara, C., Yáñez, M., Aguirre, P., Arratia-Pérez, R., Zúñiga, C. A., Moya, S. A. & CANTERO LOPEZ, PLINIO., 1 Jan 2019, In : New Journal of Chemistry. 43, 26, p. 10545-10553 9 p.

Research output: Contribution to journalArticle

Discrete Fourier transforms
Hydrogen
Catalyst activity
Ligands
Ruthenium

Classical and Quantum Mechanical Calculations of the Stacking Interaction of Nd III Complexes with Regular and Mismatched DNA Sequences

Beltrán-Leiva, M. J., Fuenzalida-Valdivia, I., Cantero-López, P., Bulhoes-Figueira, A., Alzate-Morales, J., Páez-Hernández, D. & Arratia-Pérez, R., 18 Apr 2019, In : Journal of Physical Chemistry B. 123, 15, p. 3219-3231 13 p.

Research output: Contribution to journalArticle

DNA sequences
DNA
deoxyribonucleic acid
Lanthanoid Series Elements
Rare earth elements
3 Citations (Scopus)

Cyclic voltammetry, relativistic DFT calculations and biological test of cytotoxicity in walled-cell models of two classical rhenium (I) tricarbonyl complexes with 5-amine-1,10-phenanthroline

Carreño, A., Solís-Céspedes, E., Zúñiga, C., Nevermann, J., Rivera-Zaldívar, M. M., Gacitúa, M., Ramírez-Osorio, A., Páez-Hernández, D., Arratia-Pérez, R. & Fuentes, J. A., 1 Jan 2019, In : Chemical Physics Letters. 715, p. 231-238 8 p.

Research output: Contribution to journalArticle

Rhenium
yeast
rhenium
Cytotoxicity
Discrete Fourier transforms

Molecular and Electronic Structure, and Hydrolytic Reactivity of a Samarium(II) Crown Ether Complex

White, F. D., Celis-Barros, C., Rankin, J., Solís-Céspedes, E., Dan, D., Gaiser, A. N., Zhou, Y., Colangelo, J., Páez-Hernández, D., Arratia-Pérez, R. & Albrecht-Schmitt, T. E., 4 Mar 2019, In : Inorganic Chemistry. 58, 5, p. 3457-3465 9 p.

Research output: Contribution to journalArticle

Samarium
Crown Ethers
samarium
Molecular structure
Electronic structure
5 Citations (Scopus)

Optical and electronic properties of benzopyrylium derivatives. Theoretical-experimental synergy towards novel DSSCs devices

Tirapegui, C., Rojas-Poblete, M., Arratia-Perez, R., Linares-Flores, C., Islas, R., Schott, E. & Guajardo-Maturana, R., 1 Feb 2019, In : Dyes and Pigments. 161, p. 370-381 12 p.

Research output: Contribution to journalArticle

Electronic properties
Optical properties
Derivatives
Discrete Fourier transforms
Solar cells
1 Citation (Scopus)

Potential to stabilize 16-vertex tetrahedral coinage-metal cluster architectures related to Au 20

Gam, F., Arratia-Perez, R., Kahlal, S., Saillard, J. Y. & Muñoz-Castro, A., 28 Apr 2019, In : Physical Chemistry Chemical Physics. 21, 16, p. 8428-8433 6 p.

Research output: Contribution to journalArticle

Coinage
metal clusters
apexes
Metals
Electrons

Rhenium (I) complexes as probes for prokaryotic and fungal cells by fluorescence microscopy: Do ligands matter?

Otero, C., Carreño, A., Polanco, R., Llancalahuen, F. M., Arratia-Pérez, R., Gacitúa, M. & Fuentes, J. A., 1 Jan 2019, In : Frontiers in Chemistry. 7, JUN, 454.

Research output: Contribution to journalReview article

Open Access
Rhenium
Fluorophores
Fluorescence microscopy
Fungi
Bacteria
apexes
Electrons
encapsulating
Atoms
electrons
1 Citation (Scopus)
Berkelium
berkelium
Actinoid Series Elements
Lanthanoid Series Elements
Fermium
2 Citations (Scopus)

Aromaticity of [M3(µ-X)3X6]0/2– (M = Re and Tc, X = Cl, Br, I) Clusters Confirmed by Ring Current Analysis and Induced Magnetic Field

Rabanal-León, W. A., Vásquez-Espinal, A., Yañez, O., Pino-Rios, R., Arratia-Pérez, R., Alvarez-Thon, L., Torres-Vega, J. J. & Tiznado, W., 31 Jul 2018, In : European Journal of Inorganic Chemistry. 2018, 28, p. 3312-3319 8 p.

Research output: Contribution to journalArticle

Magnetic fields
Induced currents
Current density
1 Citation (Scopus)

A theoretical study of the super exchange mechanism and magneto-structural relationships in the [Mn(III)2(μ-F)F4(Me3tacn)2](PF6) coordination compound

Montenegro-Pohlhammer, N., Páez-Hernández, D., Calzado, C. J. & Arratia-Pérez, R., 21 Aug 2018, In : New Journal of Chemistry. 42, 16, p. 13847-13855 9 p.

Research output: Contribution to journalArticle

Magnetic couplings
Exchange coupling
Wave functions
Fluorides
Discrete Fourier transforms

Comparative study of the anchorage and the catalytic properties of nanoporous TiO2 films modified with ruthenium (II) and rhenium (I) carbonyl complexes

Oyarzún, D. P., Chardon-Noblat, S., Linarez Pérez, O. E., López Teijelo, M., Zúñiga, C., Zarate, X., Shott, E., Carreño, A. & Arratia-Perez, R., 16 Feb 2018, In : Chemical Physics Letters. 694, p. 40-47 8 p.

Research output: Contribution to journalArticle

Rhenium
Ruthenium
rhenium
Carbon Monoxide
ruthenium
4 Citations (Scopus)

Electrochemical behaviors and relativistic DFT calculations to understand the terminal ligand influence on the [Re63-Q)8X6]4- clusters

Rojas-Poblete, M., Carreño, A., Gacitúa, M., Páez-Hernández, D., Rabanal-León, W. A. & Arratia-Pérez, R., 1 Jan 2018, In : New Journal of Chemistry. 42, 7, p. 5471-5478 8 p.

Research output: Contribution to journalArticle

Discrete Fourier transforms
Ligands
Molecular orbitals
Hydrogen
Rhenium

In-situ preparation of CdTe quantum dots capped with a β-cyclodextrin-epichlorohydrin polymer: Polymer influence on the nanocrystal’s optical properties

Martin-Trasanco, R., Esparza-Ponce, H. E., Ortiz, P. D., Oyarzun, D. P., Zuñiga, C., Montero-Cabrera, M. E., Tundidor-Camba, A., Pizarro, G. D. C. & Arratia-Pérez, R., 9 Nov 2018, In : Nanomaterials. 8, 11, 948.

Research output: Contribution to journalArticle

Cadmium telluride
Cytidine Diphosphate
Cyclodextrins
Nanocrystals
Semiconductor quantum dots

Magnetically induced current density using London atomic orbitals of dihydroindeno-[1,2-b]-fluorenes

Barboza, C. A., Bast, R., Barboza, E., MacLeod-Carey, D. & Arratia-Perez, R., 1 Jan 2018, In : New Journal of Chemistry. 42, 19, p. 15648-15654 7 p.

Research output: Contribution to journalArticle

Fluorenes
Induced currents
Density functional theory
Current density
Ligands
2 Citations (Scopus)
Luminescence
Hydrogen bonds
Fluorescence
Imaging techniques
Fluorescence microscopy
2 Citations (Scopus)

Rare-Earth Metal(II) Aryloxides: Structure, Synthesis, and EPR Spectroscopy of [K(2.2.2-cryptand)][Sc(OC6H2tBu2-2,6-Me-4)3]

Moehring, S. A., Beltrán-Leiva, M. J., Páez-Hernández, D., Arratia-Pérez, R., Ziller, J. W. & Evans, W. J., 5 Dec 2018, In : Chemistry - A European Journal. 24, 68, p. 18059-18067 9 p.

Research output: Contribution to journalArticle

Rare Earth Metals
Rare earths
Paramagnetic resonance
Spectroscopy
Metals

Simple and Rapid One-Step Electrochemical Synthesis of Nanogranular Cu2O Films

Oyarzún, D. P., Broens, M. I., Linarez Pérez, O. E., López Teijelo, M., Islas, R. & Arratia-Perez, R., 14 Aug 2018, In : ChemistrySelect. 3, 30, p. 8610-8614 5 p.

Research output: Contribution to journalArticle

Ethylene Glycol
Photoelectron spectroscopy
X ray spectroscopy
Fluorides
Field emission
6 Citations (Scopus)
Schiff Bases
Bioactivity
Discrete Fourier transforms
Pyridine
Phenols

Survey of short and long cuprophilic d10-d10 contacts for tetranuclear copper clusters. Understanding of bonding and ligand role from a planar superatom perspective

Claveria-Cadiz, F., Arratia-Perez, R., Guajardo-Maturana, R. & Muñoz-Castro, A., 1 Jan 2018, In : New Journal of Chemistry. 42, 11, p. 8874-8881 8 p.

Research output: Contribution to journalArticle

Copper
Ligands
Gold
Gold compounds
Coinage
Discrete Fourier transforms
Electronic properties
Optical properties
Doping (additives)
optical properties
6 Citations (Scopus)
Lanthanoid Series Elements
Energy transfer
energy transfer
fragments
ligands
3 Citations (Scopus)

Three new types of transition metal carboranylamidinate complexes

Rädisch, T., Harmgarth, N., Liebing, P., Beltrán-Leiva, M. J., Páez-Hernández, D., Arratia-Pérez, R., Engelhardt, F., Hilfert, L., Oehler, F., Busse, S. & Edelmann, F. T., 1 Jan 2018, In : Dalton Transactions. 47, 19, p. 6666-6671 6 p.

Research output: Contribution to journalArticle

Coordination Complexes
Transition metals
Single crystals
Ligands
X ray diffraction
2 Citations (Scopus)
Carbon Monoxide
Chromophores
Transition metals
Optical properties
Tuning
3 Citations (Scopus)

Two new fluorinated phenol derivatives pyridine schiff bases: Synthesis, spectral, theoretical characterization, inclusion in epichlorohydrin-β-cyclodextrin polymer, and antifungal effect

Carreño, A., Rodríguez, L., Páez-Hernández, D., Martin-Trasanco, R., Zúñiga, C., Oyarzún, D. P., Gacitúa, M., Schott, E., Arratia-Pérez, R. & Fuentes, J. A., 1 Jan 2018, In : Frontiers in Chemistry. 6, JUL, 312.

Research output: Contribution to journalArticle

Schiff Bases
Phenol
Fluorine
Derivatives
Substitution reactions
2017
4 Citations (Scopus)

Bonding in gold-rare earth [Au2M] (M = Eu, Yb, Lu) ions. A strong covalent gold-lanthanide bond

Páez-Hernández, D., Muñoz-Castro, A. & Arratia-Perez, R., 1 Sep 2017, In : Chemical Physics Letters. 683, p. 421-424 4 p.

Research output: Contribution to journalArticle

Lanthanoid Series Elements
Gold
Rare earths
rare earth elements
Ions

Chemical reactivity descriptors evaluation for determining catalytic activity, redox potential, and oxygen binding of metallophthalocyanines

Linares-Flores, C., Arratia-Pérez, R. & Macleod Carey, D., 1 Nov 2017, In : Chemical Papers. 71, 11, p. 2185-2194 10 p.

Research output: Contribution to journalArticle

Chemical reactivity
Oxidation-Reduction
Catalyst activity
Hardness
Oxygen
9 Citations (Scopus)

Coinage Metal Superatomic Cores: Insights into Their Intrinsic Stability and Optical Properties from Relativistic DFT Calculations

Gam, F., Paez-Hernandez, D., Arratia-Perez, R., Liu, C. W., Kahlal, S., Saillard, J. Y. & Muñoz-Castro, A., 22 Aug 2017, In : Chemistry - A European Journal. 23, 47, p. 11330-11337 8 p.

Research output: Contribution to journalArticle

Coinage
Silver
Discrete Fourier transforms
Gold
Copper
1 Citation (Scopus)

DFT studies on coordination models for adsorption essays of Cu(II) and Ni(II) solutions in modified silica gel with iminodiacetic groups

Carreño, A., Schott, E., Zarate, X., Manriquez, J. M., Vega, J. C., Mardones, M., Cowley, A. H., Chavez, I., Hinestroza, J. P. & Arratia-Perez, R., 1 Jun 2017, In : Chemical Papers. 71, 6, p. 1019-1030 12 p.

Research output: Contribution to journalArticle

Silica Gel
Silica gel
Nickel
Adsorption
Density functional theory
2 Citations (Scopus)

Electrochemical synthesis, optical properties and morphological characterization of ZnO/Poly(N-PhMI-co-HEMA) nanocomposite

Oyarzún, D. P., Tello, A., Pizarro, G. D. C., Martin-Trasanco, R., Zúñiga, C., Perez-Donoso, J. M. & Arratia-Perez, R., 15 Aug 2017, In : Journal of Electroanalytical Chemistry. 799, p. 358-362 5 p.

Research output: Contribution to journalArticle

Nanocomposites
Optical properties
Biocompatible Materials
Biomaterials
Electrodeposition
9 Citations (Scopus)
Perylene
Time-dependent Density Functional Theory
Porphyrin
Electron injection
TiO2
13 Citations (Scopus)

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., Johnson, J. A., Wang, J. C., Clark, R. J., Chemey, A., Eaton, T. M., Marsh, M. L., Seidler, K., Galley, S. S., Van De Burgt, L., Gray, A. L., Hobart, D. E., Hanson, K., Van Cleve, S. M. & 11 others, Gendron, F., Autschbach, J., Scuseria, G. E., Maron, L., Speldrich, M., Kögerler, P., Celis-Barros, C., Páez-Hernández, D., Arratia-Pérez, R., Ruf, M. & Albrecht-Schmitt, T. E., 27 Sep 2017, In : Journal of the American Chemical Society. 139, 38, p. 13361-13375 15 p.

Research output: Contribution to journalArticle

Berkelium
Iodates
Orbit
Electronic properties
Electronic structure
5 Citations (Scopus)
Rhenium
rhenium
Isomers
isomers
Optical properties
3 Citations (Scopus)

Nanostructuring of anodic copper oxides in fluoride-containing ethylene glycol media

Oyarzún Jerez, D. P., López Teijelo, M., Ramos Cervantes, W., Linarez Pérez, O. E., Sánchez, J., Pizarro, G. D. C., Acosta, G., Flores, M. & Arratia-Perez, R., 15 Dec 2017, In : Journal of Electroanalytical Chemistry. 807, p. 181-186 6 p.

Research output: Contribution to journalArticle

Ethylene Glycol
Copper oxides
Ethylene glycol
Fluorides
Oxide films
6 Citations (Scopus)

Reduction of Au(III) by a β-cyclodextrin polymer in acid medium. A stated unattainable reaction

Martin-Trasanco, R., Cao, R., Esparza-Ponce, H. E., Montero-Cabrera, M. E. & Arratia-Pérez, R., 1 Nov 2017, In : Carbohydrate Polymers. 175, p. 530-537 8 p.

Research output: Contribution to journalArticle

Cyclodextrins
Acids
Polymers
Gold
Nanoparticles
10 Citations (Scopus)

Simulation of natural dyes adsorbed on TiO2for photovoltaic applications

Gomez, T., Jaramillo, F., Schott, E., Arratia-P�rez, R. & Zarate, X., 1 Jan 2017, In : Solar Energy. 142, p. 215-223 9 p.

Research output: Contribution to journalArticle

Molecular orbitals
Coloring Agents
Dyes
delphinidin
Anthocyanins
5 Citations (Scopus)
Isomerization
Gold
isomerization
Conformations
Orbits
11 Citations (Scopus)
Yeast
Bacteria
Ligands
Carbon Monoxide
Rhenium
2 Citations (Scopus)

Synthesis, characterization and relativistic DFT studies of fac-Re(CO)3(isonicotinic acid)2Cl complex

Zúñiga, C., Oyarzún, D. P., Martin-Transaco, R., Yáñez-S, M., Tello, A., Fuentealba, M., Cantero-López, P. & Arratia-Pérez, R., 2017, (Accepted/In press) In : Chemical Physics Letters. 688, p. 66-73 8 p.

Research output: Contribution to journalArticle

Isonicotinic Acids
Carbon Monoxide
Discrete Fourier transforms
acids
Excitation energy

Synthesis and morphological characterization of nanocomposite based on anodic TiO2 nanotubes and poly(N-maleoyl Glycine-CO-Acrylic acid)

Oyarzún, D. P., Pizarro, G. D. C., Asenjo, A., Tello, A., Martin-Trasanco, R., Zúñiga, C., Sánchez, J. & Arratia-Perez, R., 2017, In : Journal of the Chilean Chemical Society. 62, 3, p. 3634-3636 3 p.

Research output: Contribution to journalArticle

Carbon Monoxide
Glycine
Nanotubes
Nanocomposites
Atomic force microscopy
1 Citation (Scopus)

Theoretical and experimental approach on the molecular interactions of the DL-Alanine with an electrolytic environment

Cantero-López, P., Yañez-Osses, O., Páez-Meza, M. S., López, J. E., Páez-Hernández, D. & Arratia-Pérez, R., 1 Nov 2017, In : Chemical Physics Letters. 687, p. 73-84 12 p.

Research output: Contribution to journalArticle

Biophysics
biophysics
Molecular interactions
Solvation
thermophysical properties
11 Citations (Scopus)

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, M. J., Cantero-López, P., Zúñiga, C., Bulhões-Figueira, A., Páez-Hernández, D. & Arratia-Pérez, R., 7 Aug 2017, In : Inorganic Chemistry. 56, 15, p. 9200-9208 9 p.

Research output: Contribution to journalArticle

Europium
Lanthanoid Series Elements
europium
Energy transfer
antennas
3 Citations (Scopus)

The origin of phosphorescence in Iridium (III) complexes. The role of relativistic effects

Cantero-López, P., Páez-Hernández, D. & Arratia-Pérez, R., 1 Oct 2017, In : Chemical Physics Letters. 685, p. 60-68 9 p.

Research output: Contribution to journalArticle

Iridium
Phosphorescence
relativistic effects
phosphorescence
iridium
4 Citations (Scopus)
Fluorophores
Biomarkers
Carbon Monoxide
Discrete Fourier transforms
X-Ray Diffraction
2016
7 Citations (Scopus)

Atomic force microscopy (AFM) and 3D confocal microscopy as alternative techniques for the morphological characterization of anodic TiO2 nanoporous layers

Oyarzún, D. P., Linarez Pérez, O. E., López Teijelo, M., Zúñiga, C., Jeraldo, E., Geraldo, D. A. & Arratia-Perez, R., 15 Feb 2016, In : Materials Letters. 165, p. 67-70 4 p.

Research output: Contribution to journalArticle

Confocal microscopy
Atomic force microscopy
Nanostructures
atomic force microscopy
microscopy
5 Citations (Scopus)

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

Gold
gold
Electrodes
electrodes
Adsorption
4 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

Solvation
Vibrational spectra
vibrational spectra
Molecular structure
Electronic structure