• A. Carreno, M. Gacitua, J. A. Fuentes, D. Paez-Hernandez, J. P. Penaloza, C. Otero, M. Preite, E. Molins, W. B. Swords, G. J. Meyer, J. Manuel Manrıquez, R. Polanco,j I. Chavez and R. Arratia-Perez . “Fluorescence probes for prokaryotic and eukaryotic cells using Re(CO)3 + complexes with an electron withdrawing ancillary ligand “. New J. Chem, DOI: 10.1039/c6nj00905k
  • Eduardo Jeraldo, DanielaA.Geraldo, RamiroArratia-Perez. “Atomic force microscopy (AFM) and 3D confocal microscopy as alternative techniques for the morphological characterization of anodic TiO2”. MaterialsLetters 165(2016) 67–70
  • Francisca Clavería-Cádiz, Ramiro Arratia-Pérez, Desmond MacLeod-Carey. “Density functional study on Keggin heteropolyanions containing fifth period main group heteroatoms”. Polyhedron 117 (2016) 478–486. DOI: 10.1016/j.poly.2016.06.035
  • Sebastián Miranda-Rojas, Alvaro Muñoz-Castro, Ramiro Arratia-Pérez and Fernando Mendizábal. “Theoretical Aspects of the Reactivity of MN4 Macrocyclics in Electrochemical Reactions”. In book: Electrochemistry of N4 Macrocyclic Metal Complexes, pp.143-170, DOI: 10.1007/978-3-319-31172-2_5
  • Alvaro Munoz-Castro, Tatiana Gomez, Desmond MacLeod Carey, Sebastian Miranda-Rojas, Fernando Mendizabal, Jose H. Zagal and Ramiro Arratia-Perez. “Surface on Surface. Survey of the Monolayer Gold−Graphene Interaction from Au12 and PAH via Relativistic DFT Calculations”. J. Phys. Chem. C 2016, 120, 7358-7364
  • Geraldo, DA (Geraldo, Daniela A.); Needham, P (Needham, Paula); Chandia, N (Chandia, Nancy); Arratia-Perez, R (Arratia-Perez, Ramiro); Mora, GC (Mora, Guido C.); Villagra, NA (Villagra, Nicolas A.). “Green synthesis of polysaccharides-based gold and silver nanoparticles and their promissory biological activity”. BIOINTERFACE RESEARCH IN APPLIED CHEMISTRY Volume: 6 Issue: 3 Special Issue: SI Pages: 1263-1271
  • Rabanal-Leon, WA (Rabanal-Leon, Walter A.); Murillo-Lopez, JA (Murillo-Lopez, Juliana A.); Arratia-Perez, R (Arratia-Perez, Ramiro). “Insights into bonding interactions and excitation energies of 3d-4f mixed lanthanide transition metal macrocyclic complexes”. PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 18 Issue: 48 Pages: 33218-33225 DOI: 10.1039/c6cp07001a
  • Miranda-Rojas, S (Miranda-Rojas, Sebastian); Sierra-Rosales, P (Sierra-Rosales, Paulina); Munoz-Castro, A (Munoz-Castro, Alvaro); Arratia-Perez, R (Arratia-Perez, Ramiro); Zagal, JH (Heraclito Zagal, Jose); Mendizabal, F (Mendizabal, Fernando). “Catalytic aspects of metallophthalocyanines adsorbed on gold-electrode. Theoretical exploration of the binding nature role”. PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 18 Issue: 42 Pages: 29516-29525 DOI: 10.1039/c6cp06156g
  • Carreño, A., Schott, E., Zarate, X., , Hinestroza, J.P., Arratia-Perez, R. “DFT studies on coordination models for adsorption essays of Cu(II) and Ni(II) solutions in modified silica gel with iminodiacetic groups”. Chemical Papers 2016, 1-12
  • Paredes-Gil, K (Paredes-Gil, Katherine); Mendizabal, F (Mendizabal, Fernando); Paez-Hernandez, D (Paez-Hernandez, Dayan); Arratia-Perez, R (Arratia-Perez, Ramiro). “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”. COMPUTATIONAL MATERIALS SCIENCE 2017, Volume: 126 Pages: 514-527 DOI: 10.1016/j.commatsci.2016.09.042
  • Gomez, T., Jaramillo, F., Schott, E., Arratia-Pérez, R., Zarate, X. “Simulation of natural dyes adsorbed on TiO2 for photovoltaic applications”. Solar Energy 2017, 142, 215-223
  • Diego P. Oyarzún, Omar E. Linarez Pérez, Manuel López Teijelo, César Zúñiga, Eduardo Jeraldo, Daniela A. Geraldo, Ramiro Arratia-Perez. “Atomic force microscopy (AFM) and 3D confocal microscopy as alternative techniques for the morphological characterization of anodic TiO2 nanoporous layers”. Materials Letters, Volume 165, 15 February 2016, Pages 67–70. DOI:10.1016/j.matlet.2015.11.087
  • Sebastián Miranda-Rojas, Richard Salazar-Molina, Johannes Kästner, Ramiro Arratia-Pérez and Fernando Mendizábal. “Theoretical exploration of seleno and tellurophenols as promising alternatives to sulfur ligands for anchoring to gold (111) materials”. RSC Adv., 2016,6, 4458-4468. DOI: 10.1039/C5RA21964G
  • Alexander Carreño, Manuel Gacitúa, Juan A. Fuentes, Dayán Páez-Hernández, Carmen Araneda, Ivonne Chávez, Marco Soto-Arriaza, Juan M. Manrique, Rubén Polanco, Guido C. Mora, Carolina Otero, Wesley B. Swords and Ramiro Arratia-Pérez. “Theoretical and experimental characterization of a novel pyridine benzimidazole: suitability for fluorescence staining in cells and antimicrobial properties”. New J. Chem., 2016, Advance Article. DOI: 10.1039/C5NJ02772A
  • Natalia Inostroza, Fernando Mendizabal , Ramiro Arratia-Pérez, Carlos Orellana, Cristian Linares-Flores. “Improvement of photovoltaic performance by substituent effect of donor and acceptor structure of TPA-based dye-sensitized solar cells”. Journal of Molecular Modeling, 22:25. DOI: 10.1007/s00894-015-2893-9

  • Guillermo Martinez-Ariza, Dr. Muhammad Ayaz, Dr. Sue A. Roberts, Dr. Walter A. Rabanal-León, Prof. Ramiro Arratia-Pérez, Prof. Christopher Hulme. “The Synthesis of Stable, Complex Organocesium Tetramic Acids through the Ugi Reaction and Cesium-Carbonate-Promoted Cascades”. Angewandte Chemie International Edition, Volume 54, Issue 40, pages 11672–11676, September 28, 2015. DOI: 10.1002/anie.201504377
  • Fernando Mendizabal, Alfredo Lopéz, Ramiro Arratia-Pérez, Gerald Zapata-Torres. “Interaction of LD14 and TiO2 in dye-sensitized solar-cells (DSSC): A density functional theory study”. Computational and Theoretical Chemistry. Volume 1070, 15 October 2015, Pages 117–125. DOI:10.1016/j.comptc.2015.08.005
  • Fernando Mendizabal, Alfredo Lopéz, Ramiro Arratia-Pérez, Natalia Inostroza, Cristian Linares-Flores. “Interaction of YD2 and TiO2 in dye-sensitized solar cells (DSSCs): a density functional theory study”. Journal of Molecular Modeling, 21:226. DOI: 10.1007/s00894-015-2771-5
  • Walter A. Rabanal-León, Guillermo Martinez-Ariza, Sue A. Roberts, Christopher Hulme, Ramiro Arratia-Pérez. “Computational study of organo-cesium complexes and the possibility of lanthanide/actinide ions substitution”. Chemical Physics Letters
    Volume 641, 16 November 2015, Pages 181–186. DOI:10.1016/j.cplett.2015.10.048
  • Plinio Cantero-López, Laura Le Bras, Dayán Páez-Hernández and Ramiro Arratia-Pérez. “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”. Dalton Trans., 2015,44, 20004-20010. DOI: 10.1039/C5DT03121D
  • Walter A. Rabanal-León, Juliana A. Murillo-López, Dayán Páez-Hernández, and Ramiro Arratia-Pérez. “Aromatic Lateral Substituents Influence the Excitation Energies of Hexaaza Lanthanide Macrocyclic Complexes: A Wave Function Theory and Density Functional Study”. J. Phys. Chem. A, 2015, 119 (38), pp 9931–9940. DOI: 10.1021/acs.jpca.5b07202
  • Alejandro Vásquez-Espinal, Ricardo Pino-Rios, Luis Alvarez-Thon, Walter A. Rabanal-León, Juan J. Torres-Vega, Ramiro Arratia-Perez, and William Tiznado. “New Insights into Re3(μ-Cl)3Cl6 Aromaticity. Evidence of σ- and π-Diatropicity”. J. Phys. Chem. Lett., 2015, 6 (21), pp 4326–4330. DOI: 10.1021/acs.jpclett.5b01816
  • Cristian Linares-Flores, Fernando Mendizabal, Ramiro Arratia-Pérez, Natalia Inostrozaa, Carlos Orellana. “Substituents role in zinc phthalocyanine derivatives used as dye-sensitized solar cells. A theoretical study using Density Functional Theory”. Chemical Physics Letters. Volume 639, 16 October 2015, Pages 172–177. DOI:10.1016/j.cplett.2015.09.025
  • Alexander Carreno, Manuel Gacitua, Eduardo Schott, Ximena Zarate, Juan Manuel Manriquez, Marcelo Preite, Sonia Ladeira, Annie Castel, Nancy Pizarro, Andres Vegai, Ivonne Chavez and Ramiro Arratia-Perez. “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”. New J. Chem., 2015, 39, 5725-5734. DOI: 10.1039/c5nj00772k
  • Walter A. Rabanal-Leon, Juliana A. Murillo-Lopez, Dayan Paez-Hernandez and Ramiro Arratia-Perez. “Exploring the nature of the excitation energies in [Re63-Q8)X6]4_ clusters: a relativistic approach”. Phys. Chem. Chem. Phys. 2015, 17, 17611-17617. DOI: 10.1039/c5cp02003d.
  • Rodrigo A. Urzúa-Leiva, Sergio Rampino, Ramiro Arratia-Perez, Edoardo Mosconi, Mariachiara Pastore and Filippo De Angelis. “Thermal Fluctuations on Förster Resonance Energy Transfer in Dyadic Solar Cell Sensitizers: A Combined Ab Initio Molecular Dynamics and TDDFT Investigation”. J. Phys. Chem. C, 2015, 119, 16490−16499. DOI: 10.1021/acs.jpcc.5b04921
  • Alexander Carreño, Manuel Gacitúa, Dayán Páez-Hernández, Rubén Polanco, Marcelo Preite, Juan A. Fuentes, Guido C. Mora, Ivonne Chávez, Ramiro Arratia-Pérez. “Spectral, theoretical characterization and antifungal properties of two phenol derivatives Schiff base with an intramolecular hydrogen bond”. New J. Chem., 2015, DOI: 10.1039/C5NJ01469G

  • Walter A. Rabanal-Leon, Dayan Paez-Hernandez and Ramiro Arratia-Perez. Covalent lanthanide(III) macrocyclic complexes: the bonding nature and optical properties of a promising single antenna molecule. Phys.Chem.Chem.Phys., 2014, 16, 25978-25998
  • Walter A. Rabanal-León, Juliana A. Murillo-López, Dayán Páez-Hernández, and Ramiro Arratia-Pérez. Understanding the Influence of Terminal Ligands on the Electronic Structure and Bonding Nature in [Re6(μ3-Q8)]2+ Clusters. J. Phys. Chem. A 2014, 118 (46), 11083–11089
  • C. Linares-Flores, J. Espinoza-Vergara, J. H. Zagal, R. Arratia-Perez. “Reactivity trends of Fe phthacyanines confined on graphite electrodes in terms of donor-acceptor intermolecular hardness: Linear versus Volcano Correlations”. Chem. Phys. Lett. 2014, 614, 176-180.
  • Ke Hu , Holly A. Severin, Bryan D. Koivisto, Kiyoshi C. D. Robson, Eduardo Schott , Ramiro Arratia-Perez, Gerald J. Meyer, and Curtis P. Berlinguette. “Direct Spectroscopic Evidence for Constituent Heteroatoms Enhancing Charge Recombination at a TiO2−Ruthenium Dye Interface”. J. Phys. Chem. C, 2014, 118 (30), pp 17079–17089 ; DOI: 10.1021/jp500879p.
  • Tatiana Gomez, Ximena Zárate, Eduardo Schott and Ramiro Arratia-Perez. “Role of the main adsorption modes in the interaction of a dye-sensitized solar cell [COOH-TPP-Zn(II)] on the periodic TiO2 slab exposing rutile (110) surface”. RSC Advances, 2014, 4, 9639-9646.
  • Ke Hu, Kiyoshi C. D. Robson, Evan E. Beauvilliers, Eduardo Schott, Ximena Zarate, Ramiro Arratia-Perez, Curtis P. Berlinguette, and Gerald J. Meyer. “Intramolecular and Lateral Intermolecular Hole Transfer at the Sensitized TiO2 Interface”. J. Am. Chem. Soc. 2014, 136, 1034-1046; DOI:10.1021/ja410647c.
  • Christopher D. McTiernan, Emilio Isaac Alarcon, Geniece L. Hallett-Tapley, Juliana Murillo-Lopez, Ramiro Arratia-Perez, Jose Carlos Netto-Ferreira, Juan C. Scaiano. “Electron transfer from the benzophenone triplet excited state directs the photochemical synthesis of gold nanoparticles”. Photochemical & Photobiological Sciences, 2014, 13 (2), 149 – 153.
  • Cesar Morales-Verdejo, Iván Martínez-Díaz, Christopher Adams, Juan Felipe Araneda, Luciano Oehninger, Desmond Mac-Leod Carey, Alvaro Muñoz-Castro, Ramiro Arratia-Pérez, Ivonne Chávez, Juan Manuel Manriquez. “New mono and bimetallic iron complexes derived from partially methylated s-indacene. Evidence of a trinuclear iron s-indacene complex”. Polyhedron 2014, 69, 15-24; DOI:10.1016/j.poly.2013.11.023
  • W. Rabanal-Leon, R. Arratia-Perez. “Relativistic DFT study of the Electronic Structure of the ReF8 and UF82- Ions”. J. Chil. Chem. Soc. 2013, 58, 2020-2024.F. Miranda-Barrientos, A. Muñoz-Castro, R. Arratia-Perez, D. MacLeod Carey. “Theoretical Calculations of an Osmium Molecular Switch”. J. Chil. Chem. Soc. 2013, 58, 2110-2113.
  • S. Miranda-Rojas, Alvaro Munoz-Castro, Ramiro Arratia-Perez and Fernando Mendizabal. “Theoretical insights into the adsorption of neutral, radical and anionic thiophenols on gold(111) “. Phys. Chem. Chem. Phys., 2013, 15, 20363.
  • F. Ferraro, D. Páez-Hernández, J. A. Murillo-López, A. Muñoz-Castro and R. Arratia-Pérez. “Antenna Effect by Organometallic Chromophores in Bimetallic d-f Complexes”. J. Phys. Chem. A, 2013, 117, 7847-7854 DOI:10.1021/jp406208e
  • E. Schott, X. Zarate, D. MacLeod-Carey, R. Arratia-Perez, C. Bustos. “Substituents effect on the electronic structure and molecular properties of bis[organohydrazido(2_)] molybdenum(VI) complexes”. Polyhedron 2013, 61, 27–32. DOI:10.1016/j.poly.2013.05.022
  • L. Oehninger, J. F. Araneda, C. Morales-Verdejo, A. Munoz-Castro, D. Mac-Leod Carey, C. Adams, R. Arratia-Perez, R. Rojas,J.M. Manriquez, I. Chavez. “Novel titanocene derived from a partially alkylated s-indacene: Synthesis, characterization and comparative study with its zirconium analog”. Inorg. Chim. Acta 2013, 396, 35-39. DOI:link
  • E. Schott, X. Zarate, R. Arratia-Pérez. “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”.Dyes and Pigments 2013, 97, 455-461. DOI:10.1016/j.dyepig.2013.01.006
  • X. Zarate, E. Schott, T. Gomez, R. Arratia-Perez. “A Theoretical Study of Sensitizer Candidates for Dye-Sensitized Solar Cells: Peripheral Substituted Di-Zn-Pyrazinoporphyrazine-Phthalocyanine Complexes”. J. Phys. Chem. A, 2013, 117, 430-438. DOI:doi
  • X. Zarate, E. Schott, R. Arratia-Perez. “Effects of the peripheral substituents (-NH2, -OH, -CH3, -H, -C6H5, -Cl, -CO2H and –NO2) on molecular properties of a Ni-Porphyrazine dimers family”. Polyhedron 50 (2013) 131–138 DOI:10.1016/j.poly.2012.10.041
  • C. Morales-Verdejo, L. Oehninger, I. Martínez-Díaz, D. Mac-Leod Carey, R. Arratia-Perez, I. Chávez, J. M. Manríquez “A New heterobimetallic manganese-rhodium carbonyl complex derived from partially alkylated s-indacene”. Inorg. Chim. Acta, 2013, 394, 132-139 DOI:10.1016/j.ica.2012.08.010
  • Alexander Trujillo, Mauricio Fuentealba, Ramiro Arratia-Perez and Judith A. K. Howard. “Trans -Bis[1,2-bis(diphenylphosphanyl)ethane]chlorido(ethynyl) ruthenium(II)”. Acta Cryst. (2012). E68, m1445. DOI:doi
  • Daniela A. Geraldo, Nicolas Arancibia-Miranda, Nicolas A. Villagra, Guido C. Mora, Ramiro Arratia-Perez. “Synthesis of CdTe QDs/single-walled aluminosilicate nanotubes hybrid compound and their antimicrobial activity on bacteria”. J. Nanopart. Res. (2012) 14:1286-9 DOI:10.1007/s11051-012-1286-6
  • F. Ferraro and R. Arratia-Perez. “Bonding, Energetic, Electronic Delocalization and Optical Properties of MCp3 Complexes, where M = Sc, Y, La, Ac, Lu, Ce, Yb and Th”. Chem. Phys. Lett. 2012, 554, 219-224 DOI:10.1016/j.cplett.2012.10.020
  • M. B. Oviedo, X. Zarate, C. F. A. Negre, E. Schott, R. Arratia-Pérez, and C. G.Sánchez. “Quantum Dynamical Simulations as a Tool for Predicting Photoinjection Mechanisms in Dye-sensitized TiO2 Solar Cells”. J. Phys. Chem. Lett. 2012, 3, 2548−2555 DOI:10.1021/jz300880d
  • D. Paez-Hernandez, J. Murillo-Lopez, R. Arratia-Perez. “Optical and magnetic properties of bis (dicyclooctatetraenyl) diuranium complex. A theoretical view”. Organometallics 2012, 31, 6297−6304 DOI:10.1021/om300560h
  • L. Alvarado-Soto, E. Schott V, X. Zarate, R. Arratia-Pérez and R. Ramirez-Tagle. “The aromaticity of the [Re3(u-X)3X9]3- clusters , X= Cl, Br, I”. Chem. Phys. Lett., 545, 50-53 (2012) DOI:10.1016/j.cplett.2012.07.033
  • D. MacLeod Carey, C. Adams, A. Muñoz-Castro,C. Morales-Verdejo,J.F. Araneda, I. Martinez, I. Chavez, J.M. Manríquez, A. Castel, P. Rivière, M. Rivière-Baudet, D. Matioszek, R. Septelean, I. Martinez, R. Arratia-Pérez. “A new method to radical anions derived from s-Indacene organobimetallic complexes, their ESR characterization”.Inorg. Chim. Acta, 2012, 392, 154-159. DOI:10.1016/j.ica.2012.05.033
  • Ingrid Ponce, J. Francisco Silva, Ruben Oñate, Marcos Caroli Rezende, Maritza A. Paez, José H. Zagal, Jorge Pavez*, Fernando Mendizabal, Sebastián Miranda-Rojas, Alvaro Muñoz-Castro, Ramiro Arratia-Pérez. “Enhancement of the Catalytic Activity of Fe Phthalocyanine for the Reduction of O2 Anchored to Au(111) via Conjugated Self-Assembled Monolayers of Aromatic Thiols compared to Cu Phthalocyanine”. J. Phys. Chem. C, 2012, 116 (29), pp 15329–15341 DOI:10.1021/jp301093q
  • E. Schott, X. Zárate and R. Arratia-Pérez. “Substituents effects on Two Related Families of Dyes for Dyes 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+”, J. Phys. Chem. A, 2012, 116 (27), pp 7436–7442 DOI:10.1021/jp303497h
  • Páez-Hernández, Dayán; Arratia-Perez, Ramiro. “Aromaticity, Optical Properties and Zero Field Splitting of homo and hetero-bimetallic(C8H8)M(μ:η8=C8H8)M(C8H8) where M=Ti, Zr, Th complexes”. J. Phys. Chem. A, 2012, 116 (28), pp 7584–7592 DOI:10.1021/jp3039576
  • Barboza, C. A.; Barboza, E.; Mac-Leod Carey, D.; Arratia-Perez, R.. “Methylation and the System-Size Effcet over the structural, electronic, magnetic and reactive properties of pentalene derivatives”. Chem. Phys. Lett. 545, pp 88-94,(2012) DOI:10.1016/j.cplett.2012.07.031
  • Barboza, C. A.; Vazquez, P. A. M.; Mac-Leod Carey, D.; Arratia-Perez, R.. “A TDDFT Basis Set and Functional Assessment for the Calculation of Electronic Excitation Energies of Fluorenes”. Internat. J. of Quantum Chem. 112, pp 3434-3438(2012) DOI:10.1002/qua.24300
  • Cristina A. Barboza, Ramiro Arratia-Pérez and Desmond MacLeod Carey. “Theoretical study of 3,3′ subtitution of 9,9,9′,9′-tetramethyl-fluorene-dimers”. Chem. Phys. Lett., 538, 67-71 (2012) DOI:
  • Cesar Echeverrıa, Alvaro Becerra, Felipe Nuñez-Villena, Alvaro Muñoz-Castro, Jimmy Stehberg, Zhiping Zheng, Ramiro Arratia-Perez, Felipe Simon and Rodrigo Ramırez-Tagle. “The paramagnetic and luminescent [Re6Se8I6]3_ cluster. Its potential use as an antitumoral and biomarker agent”. New J. Chem, 36, 927-932 (2012) DOI:
  • F. Ferraro, C. Aparecida Barboza and R. Arratia-Pérez. “A Relativistic Study of the Electronic and Magnetic Properties of Cerocene and Thorocene and its Anions”. J. Phys. Chem. A., 116, 4170- 4175 (2012) DOI:
  • C. Linares-Flores, D. Mac-Leod Carey, A. Muñoz-Castro, J.H.Zagal, J.Pavez, D. Pino-Riffo, R. Arratia-Pérez. “Reinterpreting the role of the catalyst formal potential. The case of thiocyanate electrooxidation catalyzed by CoN4-Macrocyclic complexes”. J. Phys. Chem. C., 116, 7091-7098 (2012) DOI:
  • A. Muñoz-Castro, D. Mac-Leod Carey, R. Arratia-Perez and G. L. Malli. “Relativistic effects in bonding and isomerization energy of the superheavy roentgenium (111Rg) cyanide”. Polyhedron, 39, 113–117 (2012) DOI:
  • Rohit Singh Chauhan, G. Kedarnath*,, Amey Wadawale, Arnold L. Rheingold, Alvaro Muñoz-Castro, Ramiro Arratia-Perez and Vimal K. Jain. “Reactivity of dipyridyl ditellurides with (diphosphine)Pto and 2-pyridyltellurolates with (diphosphine)PtCl2 and isolation of different structural motifs of platinum(II) complexes”. Organometallics 31, 1743-1750 (2012) DOI:
  • E. Schott, X. Zarate, R. Arratia-Perez. “Electronic Structure and Molecular Properties of Paramagnetic Hexanuclear Tantalum [Ta6X12Y6]3- (X and Y= F, Cl, Br, I) Cluster Compounds”. Polyhedron, 36, 127-132 (2012) DOI:
  • X. Zarate, E. Schott, D. MacLeod Carey-Castro, R. Arratia-Perez. “Photophysical properties of [Cu(binap)2]+ and [Pd(binap)2] complexes: a theoretical study”. Polyhedron, 37, 54-59 (2012) DOI:
  • D. Paez-Hernandez, R. Arratia-Perez. “CHARGE TRANSFER EFFECTS ON THE PARAMAGNETIC PROPERTIES OF THE [M (C8H8)2] AND M(C5H5)(C8H8); M=Ti, Zr, Hf and Th, COMPLEXES. Polyhedron, 36, 69-72 (2012) DOI:
  • A. Muñoz-Castro, R. Arratia-Perez, “Spin-Orbit effects on a Gold-Based Superatom: A Relativistic Jellium Model”, Phys. Chem. Chem. Phys. 14, 1408-1411 (2012) DOI:
  • J. Hurtado, J.Ugarte, R. Rojas, M. Valderrama, D. Mac-Leod Carey, A. Muñoz-Castro, R. Arratia-Pérez, R. Fröhlich, “New bis(azolylcarbonyl)pyridine chromium(III) complexes as initiators for ethylene polymerization”, Inorg. Chim. Acta 378, 218-223 (2011) DOI:
  • I. Ponce, J. F. Silva, R. Onate, S. Miranda-Rojas, A.Munoz-Castro, R. Arratia-Perez, F. Mendizabal, and J. H. Zagal, “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”, J. Phys. Chem. C. 115, 23512-23518 (2011) DOI:
  • R. Ramírez-Tagle, L. Alvarado-Soto, R. Arratia-Perez, R. Bast, and L. Alvarez- Thon, “Probing the aromaticity of the [(HtAc)3(μ2-H)6], [(HtTh)3(μ2-H)6]+ and [(HtPa)3(μ2-H)6] clusters”, J. Chem. Phys. 135, 104506-8 (2011)DOI:
  • D. Paez-Hernandez, J. A. Murillo-Lopez, R. Arratia-Perez, “Bonding Nature and Electron Delocalization of An(COT)2, An = Th, Pa, U”, J. Phys. Chem. A 115, 8997-9003 (2011) DOI:
  • A. Carreño, E. Schott, X. Zarate, R. Arratia-Perez, J. C. Vega, M. Mardones, J. M. Manriquez, I. Chavez, “Adsorption essays of Palladium in Modified Silica Gel with Thiourononium groups: Experimental and Theoretical Studies”, J. Chil. Chem. Soc. 56, 692-696 (2011) DOI:
  • M. T. Garland, S. Kahlal, D. Mac-Leod Carey, R. Arratia-Perez, J. M. Manriquez, J-Y.Saillard, “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”, New J. Chem. 35, 2136-2145 (2011) DOI:
  • Lucian-Cristian Pop, Desmond Mac-Leod Carey, Alvaro Muñoz-Castro, Luminita Silaghi-Dumitrescu, , Annie Castel and Ramiro Arratia-Pérez, “Relativistic Calculations of Aminotroponiminate complexes containing group 15 (P, As, Sb, Bi) elements”, Polyhedron, 30, 841-845 (2011) DOI:
  • Eduardo Schott, Ximena Zárate and Ramiro Arratia-Pérez, “Relativistic scalar and spin-orbit density functional calculations of the electronic structure, NICS index and ELF function of the [Re2(CO)8(μ -BiPh)2] and [Re2(CO)8(μ-BiPh2)2] clusters”, Polyhedron, 30, 846-850 (2011) DOI:
  • Ximena Zarate, Eduardo Schott, Ramiro Arratia-Perez, “A DFT/TDDFT Study of Porphyrazines and Phthalocyanine Oxo-Titanium Derivatives as Potential Dyes in Solar Cells”, Int. J. Quantum Chem., 111, 4186-4196 (2011) DOI:
  • Franklin Ferraro, Ramiro Arratia-Perez, “Spin-orbit effects on the Optical and Magnetic Properties of Cerium (III) Hexahalides” Polyhedron, 30, 860-863 (2011) DOI:
  • M. Sancy, J. Pavez, M.A. Gulppi, I. Luis de Mattos, R. Arratia-Perez, C. Linares-Flores, M. Paez, T. Nyokong, J. H. Zagal, “Optimizing the Electrocatalytic Activity of surface confined Co Macrocycles For the Electrooxidation of Thiocyanate at pH 4″, Electroanalysis 23, 711-718 (2011) DOI:
  • X. Tu, E. Alster, A. Muñoz-Castro, R. Arratia-Pérez, G. S. Nichol, Z. Zheng, “Geometrically Specific Imino Complexes of the [Re6(μ3-Se)8]2+ Core-containing Clusters”, Chem. Eur. J. 17, 580–587 (2011) DOI:

  • R. Ramírez-Tagle, L. Alvarado-Soto, L. Hernández-Acevedo and R. Arratia-Pérez, Spin-Orbit and Solvent Effects in the Luminescent[Re6Q8(NCS)6]4-, Q = S, Se, Te Clusters: Molecular Sensors and Molecular Devices, J. Chil.Chem Soc. 2010 , 54, 331 DOI:10.4067/S0717-97072010000100010
  • X. Zárate, E. Schott, D. Mac-Leod Carey, C. Bustos, R. Arratia-Perez “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”. J. Mol. Struct. (Theochem). 2010, 957, 126-132. DOI: 10.1016/j.theochem.2010.07.021
  • X. Tu, E. Alster, A. Muñoz-Castro, R. Arratia-Pérez, G. S. Nichol, Z. Zheng, “Geometrically Specific Imino Complexes of the [Re6(μ3-Se)8]2+ Core-containing Clusters“, Chem. Eur. J. (in press).
  • N.-D. Van, I. Tiritiris, R. F. Winter, B. Sarkar, P. Singh, C. Duboc, A Muñoz-Castro, R. Arratia-Pérez, W. Kaim, T. Schleid “Hydroxylation and Oxidation of [closo-B12H12]2– to the Redox System [B12(OH)12]2–/.–: Synthesis, Experimental and Calculated Structures and Properties”, Chem. Eur. J. 2010, 16, 11242–11245 DOI:10.1002/chem.201001374.
  • R. S. Chauhan, G. Kedarnath, A. Wadawale, A. Muñoz-Castro, R. Arratia-Perez, V. K. Jain, W. Kaim “Tellurium(0) as a Ligand: Synthesis and Characterization of 2-Pyridyltellurolates of Platinum(II) and Structures of [Pt{2-Te-3-(R)C5H3N}2Te(PR03)] (R = H or Me)”, Inorg. Chem., 2010, 49, 4179-4185. DOI: 10.1021/ic902347s
  • A. Munoz-Castro, D. Mac-Leod Carey, and R. Arratia-Perez “Spin-orbit effects on electronic delocalization. Aromaticity in a discrete square tetrapalladium sandwich complex”, J. Chem. Phys. 132, 164308 (2010), DOI:10.1063/1.3382340.
  • D. Mac-Leod Carey, C. Morales-Verdejo, A. Munoz-Castro, F. Burgos, D. Abril, C. Adams, E. Molins, O. Cador, I. Chavez, J.M. Manriquez, R. Arratia-Perez, J.Y. Saillard “[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”, Polyhedron, 2010, 29, 1137-1143, DOI: 10.1016/j.poly.2009.12.002
  • A. Muñoz-Castro, D. Mac-Leod Carey, R. Arratia-Perez “Calculated Molecular Properties of Triangular Tribenzo and Perfluoro-Tribenzo Trimercuronin Macrocycles”, J. Phys. Chem. A, 2010, 114, 666-672. DOI:10.1021/jp908493r.
  • A. Muñoz-Castro, D. Mac-Leod Carey, R. Arratia-Pérez “Inside a Superatom: The M7q (M=Cu, Ag, q=1+, 0, 1-) Case”, ChemPhysChem, 2010, 11, 646-650, DOI: 10.1002/cphc.200900714
  • A. Muñoz-Castro, D. Mac-Leod Carey, C. Morales-Verdejo, I. Chavez, J. M. Manriquez, R. Arratia-Perez “Toward the Synthetic Control of the HOMO−LUMO Gap in Binuclear Systems: Insights from Density Functional Calculations”, Inorg. Chem., 2010, 49, 4175-4178. DOI: 10.1021/ic902326y.
  • X. Tu, E. Boroson, H. Truong, A. Muñoz-Castro, R. Arratia-Pérez, G.-S. Nichol, Z. Zheng, “Cluster-bound Nitriles Do Not Click with Organic Azides – Unexpected Formation of Imino Complexes of the [Re6(μ3-Se)8]2+ Core-containing Clusters”, Inorg. Chem. 2010, 49, 380-382. DOI: 10.1021/ic902251z.
  • A. Muñoz-Castro, R. Arratia-Perez “Electronic Delocalization, Energetics, and Optical Properties of Tripalladium Ditropylium Halides, [Pd3(C7H7)2X3]1− (X = Cl−, Br−, and I−)”, J. Phys. Chem. A, 2010, 114, 5217-5221. DOI: 10.1021/jp101038u.
  • D. Paez-Hernandez, R. Ramirez-Tagle, E. Codorniu-Hernandez, L. Montero-Cabrera, R. Arratia-Perez “Quantum relativistic investigation about the coordination and bonding effects of different ligands on uranyl complexes”, Polyhedron, 2010, 29, 975-984, DOI: 10.1016/j.poly.2009.11.019.
  • R. Veloso-Bahamonde, R. Ramirez-Tagle, R. Arratia-Perez “DFT-modeling of the tungsten (V) cofactor of hyperthermophilic Pyrococcus furiosus tungsto-bispterin enzyme via the calculated EPR parameters”, Chem. Phys. Lett., 2010, 491, 214-217, DOI:10.1016/j.cplett.2010.04.013.
  • D. Sierra, A. H. Klahn, R. Ramirez-Tagle, R. Arratia-Perez, F. Godoy, M. T. Garland, M. Fuentealba “Heterobimetallic RePd complexes bridged by 1:5-Ph2PC5H4 ligand. Synthesis, electronic and crystal structure of (CO)2(PR3)(5-C5H4PPh2)Re–PdCl2, R = Me and OMe”, Dalton Trans., 2010, 39, 6295-6301, DOI: 10.1039/b927265h.
  • A. Munoz-Castro, D. Mac-Leod Carey, R. Arratia-Perez “Relativistic electronic structure of cadmium(II) multidecker phthalocyanine compounds”, Polyhedron, 2010, 29, 451-455, DOI: 10.1016/j.poly.2009.06.038

  • A. Munoz-Castro, D. Mac-Leod Carey, R. Arratia-Perez “Electronic structure, molecular properties and electronic currents of the luminescent [Au3(CH3NCOCH3)3] cluster”, Chemical Physics Letters, 2009, 474, 290-293, DOI:10.1016/j.cplett.2009.04.068
  • A. Munoz-Castro, D. Mac-Leod Carey, R. Arratia-Perez “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”, Polyhedron, 2009, 28, 2009, 1561-1567. DOI: 10.1016/j.poly.2009.03.016
  • J. Hurtado, D. Mac-Leod Carey, A. Muñoz-Castro, R. Arratia-Perez, R. Quijada, G. Wu, R. Rojas, M. Valderrama, “Chromium(III) complexes with terdentade 2,6-bis(azolylmethyl)pyridine ligands: Synthesis, structures and catalitic behavior”, J. Organomet. Chem. 2009, 694, 2636-2641. DOI: 10.1016/j.jorganchem.2009.04.014
  • R. Ramirez-Tagle, R. Arratia-Perez, “Pyridine as axial ligand on the [Mo6Cl8]4+ core switches off luminescence”, Chem. Phys. Lett., 2009, 475, 232-234. DOI: 10.1016/j.cplett.2009.05.053.
  • L. Alvarez-Thon, R. Arratia-Perez, K. Seppelt, Reply to “Comment on ‘Ground state of octahedral platinum hexafluoride’ “. Phys. Rev. A, 2009, 79 (5), 10502. DOI: 10.1103/PhysRevA.79.056502
  • J. F. Araneda, S. Salinas, D. Mac-Leod Carey, A. Muñoz-Castro, R. Arratia-Perez, C. Adams, I. Chavez, J.M. Manriquez, “Synthesis, Characterization of a New Carbonylated Zirconium Metallocene using a Dichloro-Zirconocene derived from a partially alkylated s-indacene”, J. Chi. Chem. Soc. 2009, 54, 269-273. DOI: 10.4067/S0717-97072009000300014
  • R. Ramirez-Tagle, R. Arratia-Perez, “Electronic Structure and Molecular Properties of the Mixed Rhenium-Molybdenum [Re6-x Mo (x) S-8(CN)(6)](q-), (x=0 to 6) Clusters” JOURNAL OF CLUSTER SCIENCE, 2009, 20, 159-164, DOI:10.1007/s10876-008-0213-6
  • L. Alvarado-Soto, R. Ramirez-Tagle, R. Arratia-Perez, ”Spin-Orbit Effects on the Aromaticity of the Re3X92- (X = Cl, Br) Cluster Ions” J. Phys. Chem. A, 2009, 113, 1671–1673. DOI: 10.1021/jp8100909

  • L. Alvarado-Soto, R. Ramirez-Tagle, R. Arratia-Perez,“Spin-orbit effects on the aromaticity of the Re3Cl9 and Re3Br9 clusters”, Chem. Phys. Lett. 467, 94-96 (2008). DOI: 10.1016/j.cplett.2008.11.020
  • P. J. Orto, G. S. Nichol, N. Okumura, D. H. Evans, R. Arratia-Pérez, R.Ramirez-Tagle, R. Wang and Z. Zheng, “Cluster carbonyls of the [Re6(mu3-Se)8]2+ core: synthesis, structural characterization, and computational analysis”, Dalton Trans. 4247-4253 (2008). . DOI: 10.1039/B806973E
  • R. Ramirez-Tagle and Ramiro Arratia-Perez, “Electronic structure and molecular properties of the [Mo6X8L6]2-; X= Cl, Br, I; L = F, Cl, Br, I clusters”, Chem. Phys. Lett. 460, 438-441 (2008). . DOI: 10.1016/j.cplett.2008.06.035
  • R. Ramirez-Tagle and Ramiro Arratia-Perez, “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”, Chem. Phys. Lett. 455, 38-41 (2008). DOI: 10.1016/j.cplett.2008.02.037
  • L. Alvarez-Thon, J. David, R. Arratia-Pérez and K. Seppelt,“Ground state of octahedral platinum hexafluoride”, Phys. Rev. A 77, 034502 (2008). DOI: 10.1103/PhysRevA.77.034502

  • D. Mac-Leod C., A. Muñoz-Castro, C. J. Bustos, J. M. Manríquez and R.Arratia-Pérez,“Pi-Donor/Acceptor Effect on Lindqvist type polyoxomolibdates because of various multiple-bonded nitrogeneous ligands”, J. Phys. Chem. A 111, 6563-6567 (2007). DOI: 10.1021/jp0727594


  • J. David, F. Mendizábal and R. Arratia-Perez, “Electronic structure and molecular properties of the octacyanorhenate [Re(CN)8]3- and [Re(CN)8]2- complexes.”, Chem. Phys. Lett. 422, 89 (2006). DOI: 10.1016/j.cplett.2006.02.052
  • J. David, F. Mendizábal and R. Arratia-Perez,“Electronic structure and molecular properties of the heptacyanorhenate[Re(CN)7]3- and [Re(CN)7]4- complexes.”, J. Phys. Chem. A 110, 1072-1077 (2006). DOI:10.1021/jp055884t
  • R. Arratia-Perez and Gulzari L. Malli, “Relativistic molecular orbital study of the optical and magnetic properties of hexachloro protactinate (IV): PaCl62-“ J. Chem. Phys. 124, 074321 (2006). DOI: 10.1063/1.2173251
  • L. Hernández-Acevedo and R. Arratia-Pérez, “Spin-orbit effects in metal-metal multiple bonded M2X8 halide complexes”, J. Chil. Chem. Soc., 49, 361-365 (2004). DOI: 10.1016/j.cplett.2008.11.020
  • R. Arratia-Pérez, L. Hernández-Acevedo and G. L. Malli, “Calculated optical and magnetic properties of hexafluorouranate (V) anion:UF6 −”, J. Chem. Phys., 121, 7743-7747 (2004). DOI: 10.1063/1.1799891
  • R. Arratia-Pérez, L. Alvarez-Thon and P. Fuentealba, “Calculated geometry and paramagnetic hyperfine structure of the Cu7 cluster”, Chem. Phys. Lett., 397, 408-411 (2004). DOI: 10.1016/j.cplett.2004.08.139
  • R. Sienra Muraña, L. Hernández-Acevedo and R. Arratia-Pérez, “Electronic structure and bonding of the [W6S8(CN)6]6- cluster anion”, Chem. Phys. Lett., 393, 277-281 (2004). DOI: 10.1016/j.cplett.2004.06.059
  • L. Hernández-Acevedo and R. Arratia-Perez, “Relativistic electronic structure of molecular precursors: The case of the[Re6Q8(CN)6 4-/Re6Q8(CN)6 3-] (Q = S, Se) redox couples.”J. Chil. Chem. Soc. 48, 125 (2003). DOI:10.1016/j.cplett.2008.11.020
  • R. Arratia-Perez and L. Hernández-Acevedo,“Calculated paramagnetic resonance parameters (g, Ahfi) of the Re6S8Br6 3-, Re6S8I6 3- and Re6Se8I6 3- cluster ions.” J. Chem. Phys. 118, 7425-7430 (2003). DOI: 10.1063/1.1561851
  • L. Alvarez-Thon, L. Hernández-Acevedo and R. Arratia-Pérez “Calculated paramagnetic resonance parameters of the luminescent Re6Se8Cl6 3- cluster ion.”, J. Chem. Phys. 115, 726-730 (2001). DOI: 10.1063/1.1379970
  • R. Arratia-Pérez and L. Hernández-Acevedo, “The Re6Se8Cl6 4-and Re6Se8I6 4- cluster ions. Another example of luminescent clusters?” J. Chem. Phys. 111, 168-172 (1999). DOI: 10.1063/1.479263
  • R. Arratia-Pérez , L. Hernández-Acevedo and B. Weiss-López “Calculated paramagnetic resonance hyperfine structure of the acute GaAs2 and obtuse Ga2As clusters” J. Chem. Phys. 110, 10882-10887 (1999). DOI: 10.1063/1.479028
  • R. Arratia-Pérez and L. Hernández-Acevedo “Relativistic electronic structure of an icosahedral Au12Pd cluster” Chem. Phys. Lett. 303, 641-646 (1999). DOI: 10.1016/S0009-2614(99)00271-7
  • R. Arratia-Pérez and L. Hernández-Acevedo, “The hexanuclear rhenium cluster ions Re6S8X6 4-. Are these clusters luminescent?”, J. Chem. Phys. 110, 2529-2532 (1999). DOI: 10.1063/1.477958
  • R. Arratia-Pérez and L. Hernández-Acevedo, “Calculated paramagnetic resonance parameters of a gallium arsenide cluster: Ga2As3” J. Chem. Phys. 109, 3497-3503 (1998). DOI: 10.1063/1.476944
  • R. Arratia-Pérez, L. Hernández-Acevedo and L. Alvarez-Thon, “Calculated paramagnetic hyperfine structure of pentagonal bipyramid Ag7 cluster” J. Chem. Phys. 108, 5795-5798 (1998). DOI: 10.1063/1.475990
  • R. Arratia-Pérez and L. Hernández-Acevedo, “A Dirac molecular orbital study for hexanuclear tungsten cluster structures” Chem. Phys. Lett. 277, 223-227 (1997). DOI: 10.1016/S0009-2614(97)00939-1
  • R. Arratia-Pérez and L. Hernández-Acevedo “A Dirac molecular orbital study for the tetragonal compresion in the RuY6I12 2- cluster”, Chem. Phys. Lett. 255, 217-222 (1996). DOI: 10.1016/0009-2614(96)00360-0
  • R. Arratia-Pérez and L. Hernández-Acevedo, “A Dirac molecular orbital study for encapsulated heavy transition metals within ytrium cluster iodides”, Chem. Phys. Lett. 247, 163-167 (1995). DOI: 10.1016/0009-2614(95)01180-8
  • R. Arratia-Pérez, L. Hernández-Acevedo, and J. S. Gómez-Jeria “Calculated paramagnetic properties of the matrix isolated Au3 cluster”, Chem. Phys. Lett. 236, 37-42 (1995). DOI: 10.1016/0009-2614(95)00000-T
  • J. Pablo Bravo-Vásquez and R. Arratia-Pérez, “Calculated paramagnetic hyperfine structure of the C2v isomers of Ag3”, J. Phys. Chem. 98, 5627-5631 (1994). DOI: 10.1021/j100073a009
  • R. Arratia-Pérez, “The M6S8L6 clusters: An example in cluster and condensed phase chemistry”, Chem. Phys. Lett. 213, 547-553 (1993). DOI: 10.1016/0009-2614(93)89158-E
  • R. Arratia-Pérez and L. Hernández-Acevedo, “Spin-orbit effects on heavy metal octahedral clusters”, J. Mol. Struct. THEOCHEM 282, 131-414 (1993). DOI: 10.1016/0166-1280(93)85043-X
  • R. Arratia-Pérez, “Relativistic quantum chemistry as a tool for calculating optical and spin-dependent properties of heavy metal clusters” Proc. Symp. “Chemistry of Materials of Technological Interest”, Pucón, Chile Commission of the European Communities and Conicyt.
  • R, Arratia-Pérez, “Relativistic electronic structure of the staggered and eclipsed conformations of octachloro diosmate(III)”, J. Phys. Chem. 95, 7239-7244 (1991). DOI: 10.1021/j100172a027
  • R. Arratia-Pérez, A. F. Ramos, and G. L. Malli, “Calculated electronic structure of Au13 clusters”, Phys. Rev. B, Cond. Matt. 39, 3005-3009 (1989). DOI: 10.1103/PhysRevB.39.3005
  • R. Arratia-Pérez and D. S. Marynick, “Paramagnetic resonance hyperfine structure of hexachloro protactinate” Phys. Rev. B, Cond. Matt. 37, 4893-4899 (1989). DOI: 10.1103/PhysRevB.37.4893
  • R. Arratia-Pérez and D. S. Marynick, “Molecular hyperfine interactions in Ag(CO)3”, J. Chem. Phys. 87, 4644-4650 (1987). DOI: 10.1063/1.452827
  • R. Arratia-Pérez, F. U. Axe, and D. S. Marynick, “Geometry, bonding, optical and magnetic properties of Cu(CO)3” J. Phys. Chem. 91, 5177-5183 (1987). DOI: 10.1021/j100304a011
  • R. Arratia-Pérez and G. L. Malli, “Bonding, optical and magnetic properties of paramagnetic Ag4q+ (q=1 and 3) clusters”, J. Magn. Reson. 73, 134-142 (1987). DOI: 10.1016/0022-2364(87)90231-9
  • A. Ramos, R. Arratia-Pérez, and G. L. Malli, “Dirac scattered-wave calculations on an icosahedral Au13 cluster”, Phys. Rev. B., Cond. Matt. 35, 3798 (1987). DOI: 10.1103/PhysRevB.35.3790
  • R. Arratia-Pérez and G. L. Malli, “Dirac scattered-wave study of trigonal bipyramidal silver clusters Ag5q+ (q=0,2 to 4)”, J. Chem. Phys. 85, 6610-6622 (1986). DOI: 10.1063/1.451443
  • R. Arratia-Pérez and G. L. Malli, “Bonding in the octahedral Au62+ cluster” Chem. Phys. Lett. 125, 143-148 (1986). DOI:10.1016/0009-2614(86)85092-8
  • F. Zuloaga and R. Arratia-Pérez, “Metal Scattered Wave study of the relativistic and nonrelativistic electronic structure and bonding for cis-diammine dichloro platinum(II)”, J. Phys. Chem. 90, 4491-4498 (1986). DOI: 10.1021/j100410a006
  • R. Arratia-Pérez and G. L. Malli, “Dirac scattered-wave calculations for Ag32+, Au3q+, and Au4q+ (q=1,2) clusters”, J. Chem. Phys. 84, 5891-5897 (1986). DOI: 10.1063/1.449900
  • R. Arratia-Pérez and C. Y. Yang,“Bonding in metal hexacarbonyls” J. Chem. Phys. 83, 4005-4015 (1985). DOI:10.1063/1.449115
  • C. Y. Yang, R. Arratia-Pérez, and J. P. Lopez, “Electronic structure of tungsten hexacarbonyl” Chem. Phys. Lett. 107, 112-116 (1984). DOI: 10.1016/0009-2614(84)85682-1
  • R. Arratia-Pérez and D. A. Case, “Electronic structure of octachloroditungstate(II)”, Inorg. Chem. 23, 3271-3273 (1984) DOI: 10.1021/ic00188a054
  • R. Arratia-Pérez, and D. A. Case, “Relativistic effects on molecular hyperfine interactions”, J. Chem. Phys. 79, 4939-4949 (1983). DOI: 10.1063/1.445587