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Ximena del Pilar Zarate Bonilla

Associate Profesor

Universidad Autónoma de Chile

Santiago, Chile

1. Structure and Physicochemical properties of dyes for dyes sensitized solar cells. 2. Applications of Quantum Mechanics approaches. 3. Mechanisms of chemical reactions. 4. Chemical reactivity.

Químico, Universidad Industrial de Santander. Colombia, 2008
Física cuántica, UNIVERSIDAD ANDRES BELLO. Chile, 2012

Associate investigator Part Time

Universidad Bernardo O´Higgins

Santiago, Chile

2013 - 2014
Head of Department Full Time

Universidad Bernardo O´Higgins

Salud, Deporte y Recreación

Santiago, Chile

2014 - 2014
Associate investigator Full Time

UNIVERSIDAD AUTONOMA DE CHILE

Ingeniería

Santiago, Chile

2015 - A la fecha

Associate Professor Part Time

Universidad Bernando O'Higgins

Chile

2014 - 2015
Head of Department Full Time

Universidad Bernando O'Higgins

Chile

2014 - 2015
Associate Professor Full Time

Universidad Autónoma de Chile

Santiago, Chile

2015 - A la fecha

Currently, I am co-directing:
Ph.D. tesis in the Molecular Physical Chemistry Ph.D Program, of Manuel Treto Suárez and Yoan Hidalgo, from Universidad Andres Bello (Santiago, Chile).
Ph.D tesis in the Science Ph.D Program with mention in Cheistry, of Felipe Toledo from Universidad de Concepción (Concepción, Chile).
Bachelor of Science in Chemistry of Valeria Ruiz and Vanesa Roa.

Summa Cum Laude

UNIVERSIDAD ANDRES BELLO

Chile, 2012

Best qualification in the thesis
Best Poster

UNIVERSIDAD ANDRES BELLO

Chile, 2010

Best Poster in the 7th Workshop of Computational Chemistry and Molecular Spectroscopy, Punta de Tralca.


Computational design and properties elucidation of new (FAPbI3)1−x-y(MAPbBr3)y(CsPbBr3)x photoactive systems for their application in perovskite solar cells Schott, Eduardo; Zarate, Ximena Article MATERIALS TODAY COMMUNICATIONS (2023)
Evaluation of the affinity of asphaltene molecular models A1 and A2 by the water/oil interfaces based on a novel concept of solubility parameter profiles obtained from MD simulations Rodriguez, Geraldine; Zarate, Ximena; Schott, Eduardo Article ISI JOURNAL OF MOLECULAR LIQUIDS (2023)
Photocatalytic study of TiO2 thin films modified with Anderson-type polyoxometalates (Cr, Co and Ni): Experimental and DFT study Zarate, Ximena; Schott, Eduardo Article ISI POLYHEDRON (2023)
Theoretical and Experimental Study for Cross-Coupling Aldol Condensation over Mono- and Bimetallic UiO-66 Nanocatalysts Zarate, Ximena; Schott, Eduardo Article ACS Applied Nano Materials (2023)
Tunning the optical properties of a photocatalytic metal-organic framework by means of molecular modelling Zarate, Ximena; Schott, Eduardo Article ISI NEW JOURNAL OF CHEMISTRY (2023)
A novel series of pyrazole derivatives toward biological applications: experimental and conceptual DFT characterization Tapia, Jorge; Zarate, Ximena; Molins, Elies; Bustos, Carlos; Schott, Eduardo Article ISI MOLECULAR DIVERSITY (2022)
B3Al4+: A Three-Dimensional Molecular Reuleaux Triangle Bai, Li-Xia; Zarate, Ximena; Guo, Jin-Chang; merino, gabriel Article ISI MOLECULES (2022)
Expanding the Knowledge of the Selective-Sensing Mechanism of Nitro Compounds by Luminescent Terbium Metal-Organic Frameworks through Multiconfigurational ab Initio Calculations Schott, Eduardo; Zarate, Ximena Article ISI JOURNAL OF PHYSICAL CHEMISTRY A (2022)
Influence of LiTaO3(0001) and KTaO3(001) Perovskites Structures on the Molecular Adsorption of Styrene and Styrene oxide: A Theoretical Insight by Periodic DFT Calculations Toledo, Felipe; Schott, Eduardo; Pecchi, Gina; Zarate, Ximena Article ISI CHEMPHYSCHEM (2022)
Photocatalytic Degradation of Methylene Blue under Visible Light Using TiO2 Thin Films Impregnated with Porphyrin and Anderson-Type Polyoxometalates (Cu and Zn) Sanguino, Alexander; Duran, Freider; Guzman, Leidy; Ruiz, Daniela; Puello, Esneyder; Quinones, Cesar; Schott, Eduardo; Zarate, Ximena Article ISI CATALYSTS (2022)
Photophysical characterization and in vitro anti-leishmanial effect of 5,10,15,20-tetrakis(4-fluorophenyl) porphyrin and the metal (Zn(II), Sn(IV), Mn(III) and V(IV)) derivatives Zarate, Ximena; Schott, Eduardo Article ISI BIOMETALS (2022)
Revisiting cyclophanes: experimental characterization and theoretical elucidation of the chain length influence on their structure and reactivity Tapia, Jorge; Preite, Marcelo; Zarate, Ximena; Schott, Eduardo Article ISI NEW JOURNAL OF CHEMISTRY (2022)
Revisiting the formation mechanism of diarylamines via Smiles rearrangement Quintal, Alan; Zarate, Ximena; Fernandez-Herrera, Maria A.; merino, gabriel Article ISI JOURNAL OF PHYSICAL ORGANIC CHEMISTRY (2022)
Schiff Bases and Multidentate Organic Compounds as Fluorescent Sensors of Al3+: Photophysical, Fluorescent Bioimaging and the Mechanisms Berrones-Reyes, Jessica C.; Schott, Eduardo; Gurubasavaraj, Prabhuodeyara M.; Zarate, Ximena Article ISI EUROPEAN JOURNAL OF ORGANIC CHEMISTRY (2022)
Structure and Electronic Properties of Metalloboranes with General Formula Cp-3(mu-H)M3B8H8 (M=Cr, Mo and W): The Effect of the Size of the Metal Zarate, Ximena; Schott, Eduardo Article ISI CHEMISTRYSELECT (2022)
Tetraphenylsilane-based oligo(azomethine)s containing 3,4-ethylenedioxy- thiophene units along their backbone: Optical, electronic, thermal properties and computational simulations Gonzalez, Alexis; Garcia, Luis E.; Zarate, Ximena; Schott, Eduardo Article ISI EUROPEAN POLYMER JOURNAL (2022)
The quest for a bidirectional auxetic, elastic, and enhanced fracture toughness material: Revisiting the mechanical properties of the BeH2 monolayers Morin-Martinez, Armando A.; Zarate, Ximena; Eduardo Cifuentes-Quintal, Miguel; merino, gabriel Article ISI JOURNAL OF COMPUTATIONAL CHEMISTRY (2022)
Theoretical and kinetic study of the singlet oxygen quenching reaction by hesperidin isolated from mandarin (Citrus reticulata) fruit peels Zarate, Ximena; Schott, Eduardo Article ISI CHEMICAL PAPERS (2022)
Tuning the visible-NIR absorption of azulenocyanine-based photosensitizers Zarate, Ximena Article ISI JOURNAL OF MOLECULAR MODELING (2022)
Understanding the Deactivating/Activating Mechanisms in Three Optical Chemosensors Based on Crown Ether with Na+/K+ Selectivity Using Quantum Chemical Tools Schott, Eduardo; Ulecia, Karel Mena; Koivisto, Bryan D.; Zarate, Ximena Article ISI CHEMPHYSCHEM (2022)
Conversion of levulinic acid over Ag substituted LaCoO3 perovskite de Leon, J. N. Diaz Article ISI FUEL (2021)
Conversion of succinic acid over Ni and Co catalysts Rojas, Mabel; Zarate, Ximena Article ISI CATALYSIS TODAY (2021)
Cyanobacterial Biomass as a Potential Biosorbent for the Removal of Recalcitrant Dyes from Water Zarate, Ximena; Schott, Eduardo Article ISI Water (2021)
Electro-reduced graphene oxide nanosheets coupled with RuAu bimetallic nanoparticles for efficient hydrogen evolution electrocatalysis Zarate, Ximena; Schott, Eduardo Article ISI CHEMICAL ENGINEERING JOURNAL (2021)
Experimental and DFT study of natural curcumin derived dyes as n-type sensitizers Zarate, Ximena; Gonzalez, P. Ivan; Schott, Eduardo Article ISI SOLAR ENERGY (2021)
Fluorescence turn-on and turn-off mechanisms of a dual-selective chemosensor of Bi3+ and pH changes: Insights from a theoretical perspective Schott, Eduardo; Zarate, Ximena Article ISI DYES AND PIGMENTS (2021)
Insights into Hydrodeoxygenation of Furfural and Guaiacol Mixture: Experimental and Theoretical Studies Schiesser, Emilio C.; Belen Dongil, Ana; Zarate, Ximena; Schott, Eduardo Article ISI JOURNAL OF PHYSICAL CHEMISTRY C (2021)
Insights into the selective sensing mechanism of a luminescent Cd(II)-based MOF chemosensor toward NACs: roles of the host-guest interactions and PET processes Schott, Eduardo; Zarate, Ximena Article ISI JOURNAL OF MATERIALS SCIENCE (2021)
Modulation of CO2 adsorption in novel pillar-layered MOFs based on carboxylate-pyrazole flexible linker Zarate, Ximena; Schott, Eduardo Article ISI DALTON TRANSACTIONS (2021)
Novel germanium-based sigma- pi conjugated oligourethanes containing dibenzofuran moieties in the backbone: Thermal, optical, electronic properties and theoretical simulations Mariman, Andrea; Schott, Eduardo; Zarate, Ximena Article ISI EUROPEAN POLYMER JOURNAL (2021)
Organotin Schiff bases as halofluorochromic dyes: green synthesis, chemio-photophysical characterization, DFT, and their fluorescent bioimaging in vitro Schott, Eduardo; Zarate, Ximena Article ISI JOURNAL OF MATERIALS CHEMISTRY B (2021)
Photodynamic effect of 5,10,15,20-tetrakis(4-carboxyphenyl)porphyrin and (Zn2+ and Sn4+) derivatives against Leishmania spp in the promastigote stage: experimental and DFT study Zarate, Ximena; Schott, Eduardo Article ISI CHEMICAL PAPERS (2021)
Planar tetracoordinate fluorine atoms Castillo-Toraya, Gabriela; Dzib, Eugenia; Zarate, Ximena; merino, gabriel Article ISI CHEMICAL SCIENCE (2021)
Structure and electronic properties of benzimidazole and cycloheptaimidazole gold N-heterocyclic carbenes Zarate, Ximena; Pop, Lucian-Cristian; Tapia, Jorge; Schott, Eduardo Article ISI POLYHEDRON (2021)
The adsorption of furfural on SrTiO3 and SrCoxTi1-xO3 perovskites: A DFT study within the molecular cluster approach Toledo, Felipe; Buljan, Antonio; Zarate, Ximena; Pecchi, Gina Article ISI JOURNAL OF MOLECULAR STRUCTURE (2021)
The role played by structural and energy parameters of ?-Diketones derivatives as antenna ligands in Eu(III) complexes Pizarro, Nancy; Zarate, Ximena; Schott, Eduardo Article ISI CHEMICAL PHYSICS LETTERS (2021)
Zinc phthalocyanine absorbance in the near-infrared with application for transparent and colorless dye-sensitized solar cells Baron, Thibaut; Zarate, Ximena; Mall-Haidaraly, Kevin; Pellegrin, Yann; Odobel, Fabrice Article ISI COMPTES RENDUS CHIMIE (2021)
Zn(II)-tetracarboxy-phthalocyanine-Sensitized TiO2 Thin Films as Antimicrobial Agents under Visible Irradiation: a Combined DFT and Experimental Study Schott, Eduardo; Zarate, Ximena Article ISI ACS OMEGA (2021)
A new approach to the mechanism for the acetalization of benzaldehyde over MOF catalysts Zarate, Ximena; Schott, Eduardo Article ISI NEW JOURNAL OF CHEMISTRY (2020)
A QUANTUM CHEMICAL STUDY OF SMALL MOLECULES USED AS ACTIVE LAYER COMPONENT OF ORGANIC SOLAR CELLS Baykara, Haci; Zarate, Ximena P.; Alvarado, Adriana A. Article ISI MOMENTO-REVISTA DE FISICA (2020)
Alkoxide structure effect on size and size distribution of Ag, Au and Ag@Au nanoparticles, prepared via alkoxide mild reduction in water Zarate, Ximena; Molins, Elies; Schott, Eduardo Article ISI MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS (2020)
Design, characterization and quantum chemical computations of a novel series of pyrazoles derivatives with potential anti-proinflammatory response Bustos, Carlos; Molins, Elies; Zarate, Ximena; Vallejos, Gabriel; Schott, Eduardo Article ISI ARABIAN JOURNAL OF CHEMISTRY (2020)
DFT/MRCI assessment of the excited-state interplay in a coumarin-schiff Mg2+ fluorescent sensor Article ISI SCOPUS JOURNAL OF COMPUTATIONAL CHEMISTRY (2020)
Effect of Triton X-100 surfactant on the interfacial activity of ionic surfactants SDS, CTAB and SDBS at the air/water interface: A study using molecular dynamic simulations Dominguez, Hector; Schott, Eduardo; Zarate, Ximena Article ISI COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS (2020)
Furanyl chalcone derivatives as efficient singlet oxygen quenchers. An experimental and DFT/MRCI study Florez, Jiress; Schott, Eduardo; Zarate, Ximena Article ISI TETRAHEDRON (2020)
Highly efficient hydrogen evolution reaction, plasmon-enhanced by AuNP-l-TiO2NP photocatalysts Zarate, Ximena; Schott, Eduardo Article ISI NEW JOURNAL OF CHEMISTRY (2020)
Magnetic response and its relation to the keto-enol tautomerism of 3,3 '-(1,4-phenylene)bis(pentane-2,4-dione): Experimental and theoretical insights Zarate, Ximena; Schott, Eduardo Article ISI INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2020)
New Sensitive and Selective Chemical Sensors for Ni2+ and Cu2+ Ions: Insights into the Sensing Mechanism through DFT Methods Tapia, Jorge; Molins, Elies; Zarate, Ximena; Schott, Eduardo Article ISI JOURNAL OF PHYSICAL CHEMISTRY A (2020)
New thiophene-based poly(azomethine)s bearing tetraphenylsilane moieties along their backbone. Optical, electronic, thermal properties and theoretical calculations Article ISI SCOPUS EUROPEAN POLYMER JOURNAL (2020)
Radiative decay channel assessment to understand the sensing mechanism of a fluorescent turn-on Al3+ chemosensor Article ISI SCOPUS INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2020)
Sensing mechanism elucidation of a chemosensor based on ametal-organicframework selective to explosive aromatic compounds Schott, Eduardo; Zarate, Ximena Article ISI INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2020)
Sensing mechanism elucidation of a europium(III)metal-organicframework selective to aniline: A theoretical insight by means of multiconfigurational calculations Schott, Eduardo; Zarate, Ximena Article ISI JOURNAL OF COMPUTATIONAL CHEMISTRY (2020)
Structural effects of alkali-metals on the B(12)skeleton Hernandez-Juarez, Gerardo; Ravell, Estefania; Arcudia, Jessica; Zarate, Ximena; merino, gabriel Article ISI PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)
Structure and bonding of molecular stirrers with formula B7M2- and B8M2 (M = Zn, Cd, Hg) Yu, Rui; Wang, Meng-hui; Liang, Wei-yan; Zarate, Ximena; Cui, Zhong-hua; merino, gabriel Article ISI PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)
TiO2 thin films sensitization with natural dyes extracted from Bactris guineensis for photocatalytic applications: Experimental and DFT study Romero, E; Villareal M.; Hazbun N. Article ISI SCOPUS Journal of Saudi Chemical Society (2020)
Behavior of the SDS/1-butanol and SDS/2-butanol mixtures at the water/n-octane interface through molecular dynamics simulations Parra, José G.; Aray, Yosslen R.; Iza, Peter; Zarate, Ximena; Schott, Eduardo Article ISI SCOPUS CHEMICAL PHYSICS (2019)
Novel and Convenient Synthesis of 2,7-Dialkyl-1,8-dihydro- as -indacenes Faundez, R.; Preite, M. Article ISI SCOPUS SYNTHESIS-STUTTGART (2019)
Novel fluorescent Schiff bases as Al3+ sensors with high selectivity and sensitivity, and their bioimaging applications Berrones-Reyes J.; MuÃ±oz-Flores B.M.; GÃ³mez-TreviÃ±o A.; JimÃ©nez-PÃ©rez V.M. Article ISI SCOPUS MATERIALS CHEMISTRY AND PHYSICS (2019)
Potential use of an anthocyanin-rich extract from berries of Vaccinium meridionale Swartz as sensitizer for TiO2 thin films – An experimental and theoretical study Camargo G.; MuÃ±oz-Acevedo A. Article SCOPUS Journal of Photochemistry and Photobiology A: Chemistry (2019)
Quantum chemical elucidation of the turn-on luminescence mechanism in two new Schiff bases as selective chemosensors of Zn2+: synthesis, theory and bioimaging applications Berrones-Reyes J.C.; CantÃ³n-DiÃ¡z A.M. Article ISI SCOPUS RSC ADVANCES (2019)
Singlet oxygen photogeneration by ethanolic extract of Syzygium cumini fruits: Theoretical elucidation through excited states computations Article ISI SCOPUS CHEMICAL PHYSICS LETTERS (2019)
Structural and interfacial properties of the CO2-in-water foams prepared with sodium dodecyl sulfate (SDS): A molecular dynamics simulation study Parra J.G.; DomÃnguez H.; Aray Y.; Iza P. Article ISI SCOPUS COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS (2019)
Synthesis and Characterization of 5,10,15,20-Tetrakis(4-ethylphenyl)porphyrin and (Zn2+, Mn2+, Sn2+, Ni2+, Al3+, V3+)-Derivatives: Photophysical and DFT study Espitia-Almeida F.; DÃaz-Uribe C.; Vallejo W.; GÃ³mez-Camargo D.; Romero-Bohorquez A.R. Article ISI SCOPUS CHEMISTRYSELECT (2019)
Understanding the aromaticity of C6X6 (X = H, F, Cl, Br, I). Insights from different theoretical criteria Article ISI SCOPUS CHEMICAL PHYSICS LETTERS (2019)
Bipodal dyes with bichromic triphenylamine architectures for use in dye-sensitized solar cell applications Abdi O.K.; Fischer B.J.D.; Al-Faouri T.; Buguis F.L.; Devgan H.S. Article ISI SCOPUS (2018)
Boron Nanowheels with Axles Containing Noble Gas Atoms: Viable Noble Gas Bound M (c) B-10(-) Clusters (M=Nb, Ta) Pan, S; Kar, S; Saha, R; Osorio, E; Zhao, LL; Merino, G; Chattaraj, PK Article ISI SCOPUS CHEMISTRY-A EUROPEAN JOURNAL (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)
Energy conversion process of substituted phthalocyanines with potential application to DSSC: a theoretical study Article ISI SCOPUS THEORETICAL CHEMISTRY ACCOUNTS (2018)
Exploring the relevance of thiophene rings as bridge unit in acceptor-bridge-donor dyes on self-aggregation and performance in DSSCs Zarate, X; Saavedra-Torres, M; Schott, E Article ISI SCOPUS JOURNAL OF COMPUTATIONAL CHEMISTRY (2018)
Improvement of the photocatalytic activity of TiO2 using Colombian Caribbean species (Syzygium cumini) as natural sensitizers: Experimental and theoretical studies Vallejo W.; Campos, K; Solano, W; Andrade, J; Munoz-Acevedo, A Article ISI SCOPUS DYES AND PIGMENTS (2018)
Noble gas encapsulated B-40 cage Ghara, M Article ISI SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2018)
Photocatalytic degradation of methylene blue by the Anderson-type polyoxomolybdates/TiO2 thin films Utria, D; Vallejo W.; Puello, E Article ISI SCOPUS POLYHEDRON (2018)
Photophysical behaviour of BODIPY-phenylacetylene macrocyclic dyads for light-harvesting applications Yousaf, M; Lough, AJ; Koivisto, BD Article ISI SCOPUS RSC ADVANCES (2018)
Stable NCNgNSi (Ng= Kr, Xe, Rn) Compounds with Covalently Bound C-Ng-N Unit: Possible Isomerization of NCNSi through the Release of the Noble Gas Atom Jana, G; Ravell, E; Chattaraj, PK Article ISI SCOPUS CHEMISTRY-A EUROPEAN JOURNAL (2018)
Synthesis of Au Nanoparticles Assisted by Linker-Modified TiO2 Nanoparticles Ortiz, PD; Castillo-Rodriguez, J; Benito, M; Molins, E Article ISI SCOPUS LANGMUIR (2018)
Tuning the molecular/electronic structure of new substituted pyrazoles: Synthesis, biological trials, theoretical approaches and Hammett correlations Vallejos-Contreras, G; Carey, DM Article ISI SCOPUS JOURNAL OF MOLECULAR STRUCTURE (2018)
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 and theoretical characterization of the electro-oxidation of dimethoxycurcumin Arrue, Lily; Barra, Tomas Article ISI SCOPUS CHEMICAL PHYSICS LETTERS (2017)
Influence of axle length on the rate and mechanism of shuttling in rigid H-shaped [2]rotaxanes Gholami, G; Zhu, KL; Baggi, G; Loeb, SJ Article ISI SCOPUS Chemical Science (2017)
Revisiting the racemization mechanism of helicenes Cabellos J.L. Article ISI SCOPUS Chemical Communications (2017)
Simulation of natural dyes adsorbed on TiO2 for photovoltaic applications Tatiana Gomez, Franklin Jaramillo; Eduardo Schott, Ramiro Arratia-Pérez Article SOLAR ENERGY (2017)
Study of the Molecular Properties of Mono and Binuclear Metal s-Indacenyl Complexes with Ir, Rh and Re=> A Theoretical Approach Ximena Zarate, Eduardo Schott; Emilio Bunel, Juan M. Manríquez Article Journal of Chemistry (2017)
Synthesis, characterization, spectroscopic properties and DFT study of a new pyridazinone family Arrue, Lily; Rey, Marina; Rubilar-Hernandez, Carlos Article ISI SCOPUS JOURNAL OF MOLECULAR STRUCTURE (2017)
Three-component one-pot synthesis of novel pyrido[2,3-d]pyrimidine indole substituted derivatives and DFT analysis. Jovanni Rangel, Carlos Díaz-Uribe; Angela Rodriguez-Serrano, Ximena Zarate; York Serge, William Vallejo; Manuel Nogueras, Jorge Trilleras; Jairo Quiroga, Jeorg Tatchen Article JOURNAL OF MOLECULAR STRUCTURE (2017)
A family of substituted hydrazonisoxazolones with potential biogical properties. Bustos, Carlos; Molins, Elies; Cárcamo, Juan-Guillermo; Aguilar, M; Sánchez, Christian; Moreno-Villoslada, Ignacio; Nishide, Hiroyuki; Zarate, Ximena; Schott, Eduardo. Article New Journal of Chemistry (2016)
A family of substituted hydrazonoisoxazolones with potential biological properties Bustos C.; Molins, E; Sánchez C; Nishide H.; Zarate, X; Schott, E Article ISI SCOPUS NEW JOURNAL OF CHEMISTRY (2016)
A silver coordination cage assembled from [Ag2 (bis (isoxazolyl))3]=> DFT approach to the binding forces within the host–guest interactions Raúl Guajardo-Maturana, Ximena Zarate; Francisca Claveria-Cadiz, Eduardo Schott. Article RSC Advances (2016)
Effects of the Acceptor Unit in Dyes with Acceptor-Bridge-Donor Architecture in the Electron Photo-Injection Mechanism and Aggregation in DSSCs Ximena Zarate, Francisca Claveria-Cadiz; David Arias-Olivares, Angela Rodriguez-Serrano; Natalia Inostroza, Eduardo Schott Article PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Interaction of chalcones with CT-DNA by spectrophotometric analysis and theoretical simulations. Ximena Zarate, Eduardo Schott; Carlos A. Escobar, Roberto Lopez-Castro; Cesar Echeverria, Leonor Alvarado-Soto Article Quimica Nova (2016)
The nature of the donor motif in acceptor-bridge-donor dyes as influence in teh electron photoinjection mechanism in DSSCs. Zarate, Ximena; Schott-Verdugo, Stephan; Rodríguez-Serrano, Angela; Schott, E. Article JOURNAL OF PHYSICAL CHEMISTRY A (2016)
Theoretical study of aromatic-antiaromatic pairs as material in organic solar cells of double light harvesting Iván Martinez, Eduardo Schott; Ivonne Chávez, Juan Manuel Manríquez Article CHEMICAL PHYSICS LETTERS (2016)
A theoretical study of substituted Indeno[1,2-b]fluorene compounds and their possible applications in solar cells Ivan Martinez, Ximena Zarate, Eduardo Schott, Cesar Morales-Verdejo, Francisco Castillo, Juan Manuel Manríquez, Ivonne Chávez Article Chemical Physics Letters (2015)
Effect of triphenylamine as electron-donor evenly spaced in 2, 4, 6 and 8 thiophene units of the main chain: synthesis and properties C. O. Sánchez, E. Schott, X. Zárate, D. MacLeod-Carey, P. Sobarzo, N. Gatica Article Polymer Bolletin (2015)
Experimental and Theoretical Studies of the ancillary ligand (E)-2-((3-amino-pyridin-4-ylimino)-methyl)-4,6-diterbutylphenol in Rhenium(I) core Alexander Carreño, Manuel Gacitua, Eduardo Schott, Ximena Zarate, Juan Manuel Manríquez, Marcelo Preite, Sonia Ladeira, Annie Castel, Nancy Alejandra Pizarro, Andres Vega, Ivonne Chavez, Ramiro Arratia-Perez Article New Journal of Chemistry (2015)
Imaging the ultrafast photoelectron transfer process in alizarin-TiO2 Tatiana Gomez, Gunter Hermann, Ximena Zarate, Jhon Fredy Pérez Torres, Jean Christophe Tremblay Article Molecules (2015)
New 3,4,5-Trisubstituted Isoxazoles Derivatives with potential biological properties Carlos Bustos, Elies Molins, Juan-Guillermo Carcamo, Marcelo Aguilar, C.O. Sánchez, Ignacio Moreno-Villoslada, Hiroyuki Nishide, Angela Mesias, Ximena Zárate, Eduardo Schott Article New Journal of Chemistry (2015)
Novel (E)-1-(pyrrole-2-yl)-3-(aryl)-2-(propen-1-one) derivatives as efficient singlet oxygen quenchers: Kinetics and quantum chemical calculations. Carlos E. Diaz-Uribe, William Vallejo, Wilmar Castellar, Jorge Trilleras, Stephanie Ortiz, Angela Rodriguez-Serrano, Ximena Zarate, Jairo Quiroga. Article RSC Advances (2015)
Novel Schiff base self-condensed oligomers in complexation with metallic triflates of low-band gap properties Sanchez, CO; Sobarzo, P; Schott, E; Zarate, X; Bustos C. Article ISI SCOPUS Iranian Polymer Journal (English Edition) (2015)
Photophysics of Tungsten-Benzylidyne complexes derived from s-indacene: Synthesis, Characterization and DFT Studies Cesar Morales-Verdejo, Ximena Zárate, Eduardo Schott, Sebastián Correa, Ivan Matinez-Diaz Article RSC Advances (2015)
Substituted phenylhydrazono derivatives of curcumin as new ligands, a theoretical study Lily Arrue, Ximena Zarate, Stephan Schott, Eduardo Schott Article Chemical Physics Letters (2015)
Charge transport modeling in bisphenazine derivative dimers as discotic liquid crystals: a TDDFT study Zarate, Ximena; Schott, Eduardo Article RSC Advances (2014)
Intramolecular and Lateral Intermolecular Hole Transfer at the Sensitized TiO2 Interface. Hu, Ke; Robson, Kiyoshi C. D.; Beauvilliers, Evan E.; Schott, Eduardo; Zarate, Ximena, Arratia-Perez, Ramiro; Berlinguette, Curtis P.; Meyer, Gerald J. Article J. Am. Chem. Soc. (2014)
Novel mono- and heterobimetallic chromium-nickel s-indacene complexes: synthesis, characterization, and DFT studies Morales Verdejo, Cesar; Schott, Eduardo; Zarate, Ximena; Manríquez, Juan Manuel Article ISI SCOPUS CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE (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)
Synthesis, characterization and computational studies of (e)-2-{[(2-aminopyridin-3-yl)imino]-methyl}- 4,6-di-tert-butylphenol Carreño, Alexander; Gacitúa, Manuel; Zarate, Ximena; Schott, Eduardo; Valenzuela, Ninnette; Preite, Marcelo; Manríquez, Juan M.; Vega, Andrés; Chávez, Ivonne Article Química Nova (2014)
Synthesis, characterization and DFT study of a new family of pyrazole derivatives Rodrigo Faundez, Desmond Macleod-Carey, Ximena Zarate, Carlos Bustos, Elies Molins, Eduardo Schott Article Polyhedron (2014)
A family of octahedral molybdenum cluster complexes [Mo6Cl8(H2O)n(OH)6-n]n-2 with n = 0-6 as a pH-sensors: A theoretical study Ximena Zarate; Eduardo Schott; Leonor Alvarado-Soto; Rodrigo Ramirez-Tagle Article Chemical Physics Letters (2013)
A molecular study of tetrakis(p-methoxyphenyl)porphyrin and its Zn(II) complex as discotic liquid crystals Ximena Zarate; Eduardo Schott; Leonor Alvarado-Soto; Todd C. Sutherland Article Int. J. Quant. Chem. (2013)
A Theoretical Study of Sensitizer Candidates for Dye-Sensitized Solar Cells: Peripheral Substituted Di-Zn-Pyrazinoporphyrazine-Phthalocyanine complexes Ximena Zarate; Eduardo Schott; Tatiana Gomez; Ramiro Arratia-Pérez Article J. Phys. Chem. A (2013)
Effect over the electronic structure by changing the core metals from Mo to W in a family of [Mo6-nWnCl8F6](2-) (n=0-6) clusters Schott E.; Zarate X.; Alvarado-Soto, L; Ramirez-Tagle R. Article POLYHEDRON (2013)
Effects of the peripheral substituents (–NH2, –OH, –CH3, –H, –C6H5, –Cl, –CO2H and –NO2) on molecular properties of a Ni-Porphyrazine dimers family Ximena Zarate; Eduardo Schott; Ramiro Arratia-Pérez Article 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)
Substituents effect on the electronic structure and molecular properties of bis[organohydrazido(2-)] Molybdenum(VI) Complexes Eduardo Schott; Ximena Zarate; Desmond MacLeod-Carey; Ramiro Arratia-Perez; Carlos Bustos Article Polyhedron (2013)
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)
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 M. Belén Oviedo; Ximena Zarate; Christian F. A. Negre; Eduardo Schott; Ramiro Arratia-Pérez; Cristián G. Sánchez Article J. Phys. Chem. Lett (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)
The aromaticity of the [Re3(u-X)3X9]3- clusters, X = Cl, Br, I Leonor Alvarado-Soto; Eduardo Schott; Ximena Zarate; Ramiro Arratia-Pérez; Rodrigo Ramirez-Tagle Article Chemical Physics Letters (2012)
A DFT/TDDFT Study of Porphyrazines and Phthalocyanine Oxo-Titanium Derivatives as Potential Dyes in Solar Cells Ximena Zárate; Eduardo Schott; Ramiro Arratia-Pérez Article INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2011)
ADSORPTION ESSAYS OF PALLADIUM IN MODIFIED SILICA GEL WITH THIOURONIUM GROUPS: EXPERIMENTAL AND THEORETICAL STUDIES Alexander Carreno; Eduardo Schott; Ximena Zárate; Ramiro Arratia-Perez; Juan Carlos Vega; Miguel Mardones; Juan M. Manriquez; Ivonne Chávez Article JOURNAL OF THE CHILEAN CHEMICAL SOCIETY (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 Eduardo Schott; Ximena Zarate; Ramiro Arratia-Pérez Article POLYHEDRON (2011)
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 Ximena Zarate; Eduardo Schott; Carlos Bustos; Ramiro Arratia-Pérez Article J. Mol. Struct. Theochem (2010)
Hydrogen Bonds C-H•••O in Superoxide Anion Radical-1,4-Pentadiene Complexes Ximena Zárate; Martha C. Daza; José L. Villaveces Article J. Mol. Struct. Theochem (2009)


ENLIGHTENING THE LUMINESCENCE-BASED SENSING MECHANISMS OF DOPED MOFS WITH SINGLE- AND DOUBLE-EMISSION CENAND MULTICONFIGURATIONAL AB INITIO METHODS Zarate, Ximena Proyecto (2023)
ATOMIC-SCALE MODELING OF MATERIALS AND MOLECULAR DEVICES BASED ON METAL PHTHALOCYANINE AND ORGANIC METAL-FREE DYES FOR DYE-SENSITIZED SOLAR CELLS Zarate, Ximena Proyecto (2022)
Catalytic Processes towards Sustainable Chemistry (Renovacion) Proyecto (2022)
RATIONALIZING THE 4F/5F-COVALENCY FROM THE THEORETICAL CALCULATION AND ASSIGNMENT OF THE LIGAND K-EDGE X-RAY ABSORPTION SPECTROSCOPY. Zarate, Ximena Proyecto (2022)
ESTUDIO MECANO-CUÁNTICO DEL EFECTO DE LA INCLUSIÓN DE GRAFENO SOBRE LAS PROPIEDADES ELECTRÓNICAS Y FOTOCORRIENTE EN CELDAS SOLARES DE PEROVSKITA Zarate, Ximena Proyecto (2021)
DELIBERATE ENHANCE OF METAL-ORGANIC FRAMEWORKS REACTIVITY VIA LINKER ELECTRON-DONOR/ACCEPTOR CHARACTER MODULATION, METAL VARIATION AND POST-SYNTHETIC MODIFICATION: SYNTHESIS, THEORETICAL AND CATALYTIC STUDIES Schott, Eduardo; Zarate, Ximena; Bustos, Carlos Proyecto (2020)
Catalytic Processes towards Sustainable Chemistry Proyecto (2019)
Development of near-infrared light collectors based on phthalocyanine for dye-sensitized solar cells and solar driven hydrogen production Zarate, Ximena Proyecto (2019)
Luminescent chemical sensors for hazardous species detection: elucidation of the sensing mechanisms and selectivity by means of theoretical approaches. Zarate, Ximena; Schott, Eduardo Proyecto (2018)
Millenium nuclei on catalytic processes towards sustainable chemistry Zarate, Ximena; Pecchi, Gina; Schott, Eduardo; Contreras, David; Barrientos, Lorena Proyecto Dr. Zarate is associated researcher (2018)
Metal complexes of beta-diketohydrazones, isoxazoles and pyrazoles. Synthesis, characterization, formulations and biological evaluation Carlos Bustos; Zarate, Ximena; Schott, Eduardo; Sanchez, Christian Proyecto (2017)
Design and synthesis of flexible linkers for the generation of new metal-organic frameworks. Schott, Eduardo; Zarate, Bonilla Proyecto Dr Zarate participates as co-researcher. (2016)
Design, obtention and molecular modelling of clean energy generation devices. A structural, photochemical and catalytic approach. Zarate, Ximena Proyecto In this project, successful international collaborations among experimental and theoretician research groups were accomplished and published in WOS journals. (2015)
The role of dyes with acceptor-bridge-donor architecture in the DSSC photo-injection mechanism, dye structure vs photo-injection mechanism relationship. 2014-2016. Zarate, Ximena Proyecto In this project, quantum mechanical computations were carried out to deeply investigate the molecular structrue and design of dyes that act as effective sensitizers in DSSCs. (2015)
Synthesis of Homo Binuclear Frameworks as Templates for the Reduction of CO2. Zarate, Ximena; Preite, Marcelo Proyecto (2014)
Synthesis, characterization and theoretical study of Curcumin derivatives, candidates as new biological active compounds. Schott, Eduardo; Zarate, Ximena Proyecto (2013)
Estudio DFT/TD-DFT de la estructura electrónica y propiedades moleculares de sistemas macrocíclicos constituidos por metaloporfirazinas Zarate, Ximena Proyecto This is a project funded by Universidad Andrés Bello to Ph.D students. (2011)
Millennium Nucleus Molecular Engineering and Supramolecular Chemistry for Catalysis, Electrocatalysis, Remediation and Energy Conversion Zarate, Ximena Proyecto In this project, Dr. Zarate worked as thesis student. (2009)
Relativistic electronic structure calculations on the bonding, optical and magnetic properties of inorganic molecular precursors. Zarate, Ximena Proyecto In this project, Dr. Zarate participated as thesis student. (2007)

Carlos Bustos

Profesor Titular

Química

INSTITUTO DE CIENCIAS QUÍMICAS, FACULTAD DE CIENCIAS, UNIVERSIDAD AUSTRAL DE CHILE

Valdivia, Chile

David Contreras

Full professor

Analitycal and Inorganic Chemistry

UNIVERSIDAD DE CONCEPCION

Concepción, Chile

César Zúñiga

Profesor Investigador

Instituto de Ciencias Naturales

Universidad de Las Américas

Santiago, Chile

Gabriel Vallejos

Académico

UNIVERSIDAD ASUTRAL DE CHILE

Valdivia, Chile

Ignacio Moreno

Full Professor

Facultad de Ciencias

Universidad Austral de Chile

Valdivia, Chile

Nancy Pizarro

Full professor

Ciencias Quimicas

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

margarita gutierrez

Proffesor

UNIVERSIDAD DE TALCA

Talca, Chile

Claudio Terraza

Titular Professor

Organic Chemistry

PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

Santiago, Chile

Marcelo Preite

Associate Professor

Organic Chemistry

PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

Santiago, Chile

Ramiro Arratia

DIRECTOR DOCTORADO

CIENCIAS QUIMICAS

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

Nestor Escalona

Professor Associated

Chemical Engineering and Bioprocesses

Pontificia Universidad Católica de Chile

Santiago, Chile

GLORIA CARDENAS

Full Professor

Department of Environmental Science

UNIVERSIDAD DE SANTIAGO DE CHILE

Santiago, Chile

Tatiana Gómez

Assistant Proffesor

Engineering

UNIVERSIDAD AUTÓNOMA DE CHILE

SANTIAGO, Chile

Cesar Saldias

Profesor Asistente

de Química Física

Pontificia Universidad Catolica de Chile

Santiago, Chile

Rodrigo Ramírez

Director

Direccion de Investigacion y Postgrado

Universidad de Aconcagua

Santiago, Chile

Gonzalo Recabarren

Académico

Farmacia

PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE

Santiago, Chile

Eduardo Schott

Profesor Asociado

Departamento de Química Inorgánica

Pontificia Universidad Católica de Chile

Santiago, Chile

Ricardo Pino

Académico Investigador

Ciencias Químicas y Farmaceuticas

Universidad Arturo Prat

Iquique, Chile

Desmond MacLeod-Carey

Associate Professor

Facultad de Ingeniería

Universidad Autónoma de Chile

Santiago, Chile

Cesar Morales

Associate Professor

Universidad Bernardo O'Higgins

Santiago, Chile

108

Ximena Zarate

Associate Profesor

Instituto de Ciencias Químicas Aplicadas

Universidad Autónoma de Chile

Santiago, Chile

Mario Saavedra

Asistente de Investigacion

Ciencias del Ambiente

Universidad de Santiago de Chile

Santiago, Chile

Ignacio Jessop

Profesor Asistente Jornada Completa

Departamento de Química

Universidad de Tarapacá

Arica, Chile

Alain Tundidor

Profesor Asociado

Química Orgánica

Pontificia Universidad Católica de Chile

Santiago, Chile

Roberto Canales

Profesor Asistente

Departamento de Ingeniería Química y Bioprocesos

Pontificia Universidad Católica de Chile

Santiago, Chile

Diego Oyarzún

Profesor/Investigador

Universidad Andrés Bello

Chile

Elodie Blanco

Profesora asistente

Ingeniería y gestión de construcción, Ingeniería química y bioprocesos

Pontificia Universidad Católica de Chile

Macul, Chile

Karel Mena

Profesor Asociado

Ciencias Biológicas y Químicas

Universidad Católica de Temuco

Temuco, Chile

Alexander Carreño

Profesor asistente

Center of Applied Nanoscience

UNIVERSIDAD ANDRES BELLO

Santiago, Chile

Carmen Gonzalez

Profesor Titular

Quimica

Universidad Tecnológica Metropolitana

Santiago, Chile

Lorena Norambuena

Full Professor

Biology

UNIVERSIDAD DE CHILE

Santiago, Chile

Dayán Páez

Profesor Asociado

Facultad de Ciencias Exactas

Universidad Andrés Bello

Santiago, Chile

Alexander Carreño

Profesor asistente

Doctorado en Fisico Química Molecular

Universidad Andrés Bello

Santiago, Chile

Juan Seguel

Colaborador academico

Fisico-Química

Universidad de Concepcion

Chiguayante, Chile

sebastian correa

Académico

Ciencias Químico Biológicas

Universidad Bernardo O'Higgins

Santiago, Chile

Lily Arrué

Francisco Castillo

Instructor Adjunto

Química Orgánica

Pontificia Universidad Católica de Chile

Santiago, Chile

Rudy Martín

Prof. Asistente

Química de los Materiales

Universidad de Santiago de Chile

Santiago, Chile

Manuel Treto

Académico

Departamento de Física y Química

Universidad Autónoma de Chile

Temuco, Chile

Judith Castillo

PhD

Química Inorgánica

Pontificia Universidad Católica de Chile

Santiago, Chile

Natalia Martínez

Investigador Postdoctoral

Química

Pontificia Universidad Católica de Chile

Santiago, Chile

Esteban Camú

Postdoctorado

Ingeniería Química y Bioprocesos

Pontificia Universidad Católica de Chile

Santiago, Chile

Yoan Hidalgo

Postdoctoral researcher

Researcher Line 3

Universidad de Chile-Solar Energy Research Center CONICYT/FONDAP/15110019

Santiago de chile, Chile

René Hauyon

Profesor part-time

Química Orgánica

Pontificia Universidad Católica de Chile

Santiago, Chile

JESÚS LLANQUINAO

Postdoctorado

Programa de comunicación celular en cáncer

Universidad del Desarrollo

Santiago, Chile

Ximena del Pilar Zarate Bonilla

Líneas de Investigación

Educación

Químico, Universidad Industrial de Santander. Colombia, 2008

Física cuántica, UNIVERSIDAD ANDRES BELLO. Chile, 2012

Experiencia Académica

Associate investigator Part Time

Head of Department Full Time

Associate investigator Full Time

Experiencia Profesional

Associate Professor Part Time

Head of Department Full Time

Associate Professor Full Time

Formación de Capital Humano

Premios y Distinciones

Summa Cum Laude

Best Poster

Article (123)

Proyecto (19)