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Publications

2025

120.- "Molecular Switches and Real-Time Sensing in Pyridinium Circuits via Single-Molecule STM-Break Junction". Ana María Méndez-Torres, Rubén Oñate, Ana Pizarro, Dany S. Monje, Nicolas Montenegro-Pohlhammer, Nadim Darwish, Diego Cortés-Arriagada, Gloria Cárdenas-Jirón, Ingrid Ponce, Nanoscale Horizons, (2025) in press.

 

119.- "Adsorption of Hg(II) from Aqueous Solutions on β-zeolite: Theoretical-Experimental Proposal for the Surface Interaction Mechanism and the Formation of Metal Complexes". Lisette Ruiz-Bravo, Kevin Granados-Tavera, Gloria Cárdenas-Jirón, Microporous and Mesoporous Materials, 392 (2025) 113642-113652. DOI:  10.1016/j.micromeso.2025.113642.

 

118.- "Exploration of Lithium Brine Purification via Simultaneous Extraction of Magnesium and Boron Using Novel Ionic Liquids: A Theoretical and Experimental Molecular Study". Benjamín Parraguez, Nicole Parra-Muñoz, Gloria Cárdenas-Jirón, Merlys Borges-Martínez, Julio I. Urzúa, Journal of Molecular Liquids, 425 (2025) 127193-127203. DOI: 10.1016/j.molliq.2025.127193.

 

117.- "Charge Transport of Silicon (IV) and Zinc (II) Phthalocyanines by Molecular Junction Models". Michael Zambrano-Angulo, Gloria Cárdenas-Jirón, Journal of Materials Chemistry C, 13 (2025) 3452-3464. DOI: 10.1039/d4tc04287e.

 

116.- "Influence of Gd doping on the Structural, Optical, Dielectric, and Magnetic Properties of ZnFe2O4: A Combined Experimental and Theoretical Study". M. Shobana, T. Raguram, Nandhakumar Eswaramoorthy, Gloria Cárdenas-Jirón, Kevin Granados-Tavera, Abdullah N. Alodhayb, Khalid E. Alzahrani, Saravanan Pandiaraj, J. Geethapriya, Chethan Y R, Ceramics International, 51 (2025) 6748-6761. DOI: 10.1016/j.ceramint.2024.12.119.

2024

115.- "The On/Off pH-Dependent Electrocatalytic Activity of the Perfluorinated Iron Phthalocyanine for the Oxygen Reduction Reaction and Electrochemical Hardness as a Reactivity Descriptor: Experimental and Theoretical Study." Luis Acuña-Saavedra, Ana María Méndez-Torres, Gloria Cárdenas-Jirón, Rubén Oñate, Benjamín Sánchez-Allende, Ricardo Venegas, Roberto Bernal, Francisco Melo, Elizabeth Imbarack, José H. Zagal, Ingrid Ponce, ACS Catalysis, 15 (2024) 719-737. DOI: 10.1021/acscatal.4c06957.  

 

114.- "Understanding the Nature of the Adsorption of Zn(II)/Si(IV) Phthalocyanines On Anatase TiO2 and Rutile SnO2". Michael Zambrano-Angulo, Gloria Cárdenas-Jirón, Journal of Molecular Modeling, 30 (2024) 403-413. DOI: 10.1007/s00894-024-06211-9. 

 

113.- "Exploring Structural and Optical Properties of Iodine-Doped TiO2 Nanoparticles in Rhodamine-B Dye Degradation: Experimental and Theoretical Investigation". T. Raguram, K.S. Rajni, D. Kanchana,  José Solar-Encinas, Kevin Granados-Tavera, Gloria Cárdenas-Jirón, M. Shobana, S.R. Meher, Chemosphere,  364 (2024) 143183-143196. DOI: 10.1016/j.chemosphere.2024.143183.

 

112.- "Engineering MOF/Carbon Nitride Heterojunctions for Effective Dual Photocatalytic CO2 Conversion and Oxygen Evolution Reactions". Valentin Diez-Cabanes, Kevin Granados-Tavera, Inderdip Shere, Gloria Cárdenas-Jirón, Guillaume Maurin, Chemical Science,  15 (2024) 15232-15242. DOI: 10.1039/D4SC03630A.

 

111.- "Electronic, Optical and Transport Properties of Zn-Porphyrin-C60 MOFs: A Combined Periodic and Cluster Modeling". Kevin Granados-Tavera, Gloria Cárdenas-Jirón, Dalton Transactions,  53 (2024) 16830-16842. DOI: 10.1039/D4DT01459F.

 

110.- "Voltage-Induced Modulation of the Magnetic Exchange in Binuclear Fe(III) Complex Deposited on Au(111) Surface". Nicolas Montenegro-Pohlhammer, Gloria Cárdenas-Jirón, Carmen J. Calzado, Dalton Transactions,  53 (2024) 6264-6274. DOI: 10.1039/DADT00580E.

 

109.- "Toward the Searching for New Photosensitizers for DSSC: Theoretical Study of Both Substituted Zinc (II) and Si (IV) Phthalocyanines". Michael Zambrano-Angulo, Gloria Cárdenas-Jirón, Physical Chemistry Chemical Physics, 26 (2024) 6164-6179. DOI: 10.1039/D3CP04417C.

 

108.- "Deciphering the Origin of the First Steps in the Degradation of Azo Dyes: A Computational Study". Ricardo Pino-Rios, Eduardo Pino, Gloria Cárdenas-Jirón, Environmental Science and Pollution Research, 31 (2024) 657-667. DOI: 10.1007/s11356-023-31172-6. 

2023

107.- "Photoconductive Metal-Organic Frameworks based on 10,20-meso-substituted Zn-Porphyrin and Fullerene C60", Kevin Granados-Tavera, Nicolás Montenegro-Pohlhammer, Gloria Cárdenas-Jirón, Surfaces and Interfaces, 40 (2023) 103002-103012. DOI: 10.1016/j.surfin.2023.103002.

 

106.- "Near-Infrared Absorption of Fused Core-Modified Expanded Porphyrins for Dye-Sensitized Solar Cells", María Isabel Menéndez, Nicolas Montenegro-Pohlhammer, Ricardo Pino-Rios, Rodrigo Urzúa-Leiva, Simone Morales-Lovera, Merlys Borges-Martínez, Kevin Granados-Tavera, Ramón López, Gloria Cárdenas-Jirón, Journal of Chemical Physics,  158 (2023) 164305-164320. DOI: 10.1063/5.0143835.

 

105.- "Theoretical Study of Lithium Oxide Clusters Adsorbed on Anatase TiO2 Surface", Michael Zambrano-Angulo, Ricardo Pino-Rios, Eduardo Pino-López, Gloria Cárdenas-Jirón, Surfaces and Interfaces, 38 (2023) 102856-102867. DOI: 10.1016/j.surfin.2023.102856.

 

104.- "Computational demonstration of Isomer- and spin-state-dependent charge transport in molecular junctions composed of charge-neutral iron(II) spin-crossover complexes" Nicolás Montenegro-Pohlhammer, Senthil Kumar Kuppusamy, Gloria Cárdenas-Jirón, Carmen J. Calzado, Mario Ruben, Dalton Transactions, 52 (2023) 1229-1240. DOI: 10.1039/D2DT02598A.

 

103.- "Synergistic Effect of Ultrasound and Light to Efficient Singlet Oxygen Formation for Photodynamic Purposes" Kevin Granados-Tavera, Michael Zambrano-Angulo, Nicolás Montenegro-Pohlhammer, Göknur Yaşa Atmaca, Lukasz Sobotta, Emre Güzel, Gloria Cárdenas-Jirón, Ali Erdoğmuş, Ayşe Gül Gürek, Dyes and Pigments, 210 (2023) 110986-110995. DOI: 10.1016/j.dyepig.2022.110986.

2022

102.- "Tuning the Visible-NIR Absorption of Azulenocyanine-based Photosensitizers" Kevin Granados-Tavera, Michael Zambrano-Angulo, Yoan Hidalgo-Rosa, Ximena Zarate, Gloria Cárdenas-Jirón, Journal of Molecular Modeling, 28 (2022) 344-356.  DOI: 10.1007/s00894-022-05329-y.

 
101.- "Anisotropic Band-Edge Absorption of Millimeter-Sized Zn(3-ptz)2 Single-Crystal Metal-Organic Frameworks" Ignacio Chi-Durán, Rubén A. Fritz, Rodrigo Urzúa-Leiva, Gloria Cárdenas-Jirón, Dinesh Pratap Singh, Felipe Herrera, ACS Omega, 7 (2022) 24432-24437. DOI: 10.1021/acsomega.2c01856.  

 
100.- "Fullerene Binding Effects in Al(III)/Zn(II) Porphyrin/Phthalocyanine  Photophysical Properties and Charge Transport", Merlys Borges-Martínez, Nicolás Montenegro-Pohlhammer, Xiance Zhang, Diego E. Galvez-Aranda, Victor Ponce, Jorge M. Seminario, Gloria Cárdenas-Jirón, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 269 (2022) 120740-120752. DOI: 10.1016/j.saa.2021.120740. 


 99.- "A new sterically hindered asymmetric zinc phthalocyanine as an efficient sensitizer for dye-sensitized solar cells", Kevser Harmandar, Kevin Granados-Tavera, Merve Gezgin, Mehmet Nebioğlu, İlkay Şişman, Gloria Cárdenas-Jirón, Devrim Atilla, Ayşe Gül Gürek, New Journal of Chemistry, 46 (2022) 714-725, DOI: 10.1039/D1NJ04441A. 

2021

98.- "Zinc phthalocyanine absorbing in the near-infrared with application for transparent and colorless dye-sensitized solar cells", Thibaut Baron, Ximena Zarate, Yoan Hidalgo-Rosa, Michael Zambrano-Angulo, Kevin Mall-Haidaraly, Ricardo Pino-Rios, Yann Pellegrin, Fabrice Odobel, Gloria Cárdenas-Jirón, Comptes Rendus Chimie, 24 (2021) 1-14. DOI:10.5802/crchim.113.  
 
97.- "A Photo-Induced Spin Crossover based Molecular Switch and Spin Filter Operating at Room Temperature", Nicolas Montenegro-Pohlhammer, Rocio Sanchez-de-Armas, Carmen J. Calzado, Merlys Borges-Martinez, Gloria Cardenas-Jiron, Dalton Transactions, 50 (2021), 6578-6587. DOI: 10.1039/D1DT00078K
 
96.- "The Bimetallic and the Anchoring Group Effects on both the Optical and Charge Transport Properties of Hexaphyrin Amethyrin", Merlys Borges-Martinez, Nicolas Montenegro-Pohlhammer, Gloria Cárdenas-Jirón, New Journal of Chemistry, 45 (2021), 6521-6534. DOI: 10.1039/D1NJ00091H
 
95.- "Assessment of New Expanded Phorpholactones as UV/VIS/NIR chromophores for Dye-Sensitized Solar Cells applications", Ricardo Pino-Rios, Nicolas Montenegro-Pohlhammer, Gloria Cárdenas-Jirón, Journal  of Physical Chemistry A, 125 (2021), 2267-2275. DOI: 10.1021/acs.jpca.0c11188
 
94.- "Insight into effects of the anchoring groups on the photovoltaic performance of unsymmetrical phthalocyanine based dye-sensitized solar cells", Gülenay Tunç, Michael Zambrano-Angulo, Barış Seçkin Arslan, Emre Güzel, Mehmet Nebioğlu, Vefa Ahsen, İlkay Şişman, Gloria Cárdenas-Jirón, Ayşe Gül Gürek, Dalton Transactions, 50 (2021) 2981-2996. DOI:10.1039/D0DT03696J

2020

93.- “Local and Macrocyclic (Anti)Aromaticity of Porphyrinoids Revealed by the Topology of the Induced Magnetic Field",  Ricardo Pino-Rios, Gloria Cárdenas-Jirón, William Tiznado, Physical Chemistry Chemical Physics, 22 (2020) 21267-21274. DOI: 10.1039/D0CP03272G. 
 
92.- “Effects of the methylammonium ion substitutions by 5-ammoniumvaleric acid in lead trihalide perovskite solar cell: A combined experimental and theoretical investigation", Rodrigo Urzúa-Leiva, Amir Narymany Shandy, Haibing Xie, Mónica Lira-Cantú, Gloria Cárdenas-Jirón, New Journal of Chemistry  44 (2020) 14642-14649. DOI: 10.1039/D0NJ02748K. 
 
91.- “Influence of cyano substituents on the electron density and catalytic activity towards the oxygen reduction reaction for iron phthalocyanine. The case for Fe(II) 2,3,9,10,16,17,23,24-octa(cyano)phthalocyanine”, Joseph Govan, Gabriel Abarca, Carolina Aliaga, Byran Sanhueza, Walter Orellana, Gloria Cárdenas-Jirón, José H. Zagal, Federico Tasca, Electrochemistry Communications 118 (2020), 106784. DOI: 10.1016/j.elecom.2020.106784.
 
90.- "Zn(II)-Porphyrin-Squaraine Dyads as Potential Components for Dye-Sensitized Solar Cells: A Quantum Chemical Study of Optical and Charge Transport Properties", Merlys Borges-Martinez,  Nicolas Montenegro-Pohlhammer,  Yoh Yamamoto, Tunna Baruah,  Gloria Cárdenas-Jiron,  Journal of Physical Chemistry C  124 (2020), 12968-12981.  DOI: 10.1021/acs.jpcc.0c02865.
 
89.- "The Boron Nitride (B116N124) Fullerene: Stability and Electronic Properties from DFT Simulations", Alejandro Rodriguez Juarez, Filiberto Ortiz Chi, Ricardo Pino Rios, Gloria Cárdenas-Jirón, Martin Salazar Villanueva, Ernesto Chigo Anota,  Chemical Physics Letters 741 (2020), 137097-137104. DOI: 10.1016/j.cplett.2020.137097. 
 
88.- "B12N12 Cluster as a Collector of Noble Gases: A Quantum Chemical Study", Ricardo Pino-Rios, Ernesto Chigo-Anota, Ehsan Shakerzadeh, Gloria Cárdenas-Jirón, Physica E: Low-Dimensional Systems and Nanostructures, 115 (2020) 113697-113702. DOI: 10.1016/physe.2019.113697

2019

87.- "Orbital Weighted Dual Descriptor for the Study of Local Reactivity of Systems with Quasi-Degenerate States", Ricardo Pino-Rios, Diego Inostroza,  Gloria Cárdenas-Jirón,  William Tiznado, Journal of Physical Chemistry A, 123 (2019) 10556-10562. DOI: 10.1021/acs.jpca.9b07516


86.- "Elucidating the Electronic Structure and Magnetic and Conducting Properties of μ-oxo Mn-phthalocyanine [MnPc(CN)]2O Complex", Nicolas Montenegro-Pohlhammer,  Rocío Sánchez-de-Armas,  Gloria Cárdenas-Jirón,  Carmen J Calzado, Journal of Physical Chemistry C , 123 (2019) 28359-28369. DOI: 10.1021/acs.jpcc.9b08046

 
85.-"Effect of the Meso/Beta Halogenation in the Photoelectronic Properties and Aromaticity of Expanded Porphyrins", Ricardo Pino-Rios, Gloria Cárdenas-Jirón, Journal of Photochemistry and Photobiology A: Chemistry, 385 (2019) 112052-112057. DOI: 10.1016/j.jphotochem.2019.112052

 
84.- "Effect of New Asymmetrical Zn(II) Phthalocyanines on the Photovoltaic Performances of Dye-Sensitized Solar Cell", Gülenay Tunç,  Emre Güzel,  İlkay Şişman,  Vefa Ahsen, Gloria Cárdenas-Jirón, Ayse Gul Gurek, New Journal of Chemistry, 43 (2019) 14390-14401. DOI: 10.1039/c9nj02585e. 

 
83.- "Assessment of BODIPY-Oxasmaragdyrin Dyads for Dye Sensitized Solar Cells: Aromaticity, Photosensitization Capability and Charge Transport", Merlys Borges-Martínez, Daniel Alvarez, Nicolas Montenegro-Pohlhammer, María Isabel Menéndez, Ramón López, Gloria Cárdenas-Jirón, Journal of Physical Chemistry C, 123 (2019) 19362-19375. DOI: 10.1021/acs.jpcc.9b05136. 


82.- "Spin-Filter Transport and Magnetics Properties in Binuclear Cu(II) Expanded Porphyrin Based Molecular Junction", Nicolas Montenegro-Pohlhammer, Rodrigo Urzúa-Leiva, Dayán Páez-Hernández, Gloria Cárdenas-Jirón, Dalton Transactions, 48 (2019) 8418-8426. DOI: 10.1039/C9DT01312A
 

81.- "Stability, Electronic and Optical Properties of the Boron Nitride Cage (B47N53) from Quantum Mechanical Calculations", A. Rodriguez Juarez, F. Ortiz-Chi, M. Borges-Martinez, G. Cárdenas-Jirón, M. Salazar Villanueva, E. Chigo Anota, Physica E: Low-dimensional  Systems and Nanostructures, 111 (2019) 118-126. DOI: 10.1016/j.physe.2019.02.017

 

80.- "Interpreting Aromaticity and Antiaromaticity through Bifurcation Analysis of the Induced Magnetic Field", Ricardo Pino-Rios, Gloria Cárdenas-Jirón, Lina Ruiz, William Tiznado, Chemistry Open, 8 (2019) 321-326. DOI: 10.1002/open.201800238. 

 

79.- "The Influence of Antenna and Anchoring Moieties on the Improvement of Photoelectronic Properties in Zn(II)-Porphyrin-TiO2 and Potential Dye-Sensitized Solar Cells”, Rodrigo Urzúa-Leiva, Ricardo Pino-Rios, Gloria Cárdenas-Jirón,  Physical Chemistry Chemical Physics, 21 (2019) 4339-4348. DOI: 10.1039/C8CP06988C.

 

78.- "Quantum Chemical Studies of Porphyrin- and Expanded Porphyrin-based Systems and Their Potential Applications on Nanoscience. Latin American Research Review”, Gloria Cárdenas-Jirón, Merlys Borges-Martínez, Raúl Mera-Adasme, Ricardo Pino-Ríos,  International Journal of Quantum Chemistry, 119 (2019) e25821-25835. DOI:10.1002/qua.25821.

2018

77.- "Theoretical Rationalisation of the Photophysics of TICT Excited State of Cinnamoyl-Coumarin Derivatives in Homogeneous and Biological Membrane Models”, Daniel Zúñiga-Núñez, Ricardo A. Zamora, Pablo Barrías,  Cristian Andrés Tirapegui, Horacio Poblete,  Gloria Cárdenas-Jirón, Emilio Alarcón, Alexis Aspée,  Physical Chemistry Chemical Physics, 20 (2018) 27621-27629. DOI: 10.1039/C8CP04963G

 

76.- “Atypical antioxidant activity of non-phenolic amino-coumarins”, Daniel Zúñiga-Núñez, Pablo Barrías, Gloria Cárdenas-Jirón, M. Soledad Ureta-Zañartu, Camilo Lopez-Alarcón, F. Eduardo Morán Vieyra, Claudio D. Borsarelli, Emilio I. Alarcón, Alexis Aspée, RSC Advances, 8 (2018) 1927-1933. DOI: 10.1039/C7RA12000A

2017

75.- “Theoretical Assessment of TD-DFT Applied to Ferrocene-based Complex”, Mauricio Yáñez-S, Sergio A. Moya, Cesar Zúñiga, Gloria Cárdenas-Jirón, Computational and Theoretical Chemistry, 1118 (2017) 65-74. DOI:10.1016/j.comptc.2017.08.032.
 
74.- “Covalent Functionalization of Octagraphene with Magnetic Octahedral B6 – and Non-planar C6−Clusters”, Ernesto Chigo-Anota, Gloria Cárdenas-Jirón, M. Salazar Villanueva, A. Bautista Hernández, M. Castro, Physica E: Low-dimensional Systems and Nanostructures, 94 (2017) 196-203. DOI: 10.1016/j.physe.2017.08.012
 
73.- “Reaction Kinetics of Phenolic Antioxidants Towards Photo-Induced Pyranine Free Radicals in Biological Models”, Alexis Aspée, Christian Aliaga, Luca Maretti, Daniel Zúñiga, Jessica Godoy, Eduardo Pino, Gloria Cárdenas-Jirón, Camilo Lopez-Alarcon, Juan C. Scaiano, Emilio Alarcon, Journal of Physical Chemistry B,  121 (2017) 6331-6340. DOI: 10.1021/acs.jpcb.7b02779
 
72.- “Insights on the Reactivity of Terminal Phosphanido Metal Complexes toward Activated Alkynes from Theoretical Computations”, Daniel Álvarez, Raúl Mera-Adasme, Lucía Riera, Gloria I. Cárdenas-Jirón, Julio Pérez, Jesús Díaz, María I. Menéndez, Ramón López, Inorganic Chemistry,  56 (2017) 6652-6661. DOI: 10.1021/acs.inorgchem.7b00767
 
71.- “Excited States of Light-Harvesting Systems Based on Fullerene/Graphene Oxide and Porphyrin/Smaragdyrin”, Gloria Cárdenas-Jirón, Merlys Borges-Martínez, Ember Sikorski, Tunna Baruah, Journal of Physical Chemistry C, 121 (2017) 4859-4872. DOI: 10.1021/acs/jpcc.6b12452. 

2016

70.- “Mechanistic Study of a Ruthenium Hydride Complex of type [RuH(CO)(N-N)(PR3)2]+ as Catalyst Precursor for the Hydroformylation Reaction of 1-hexene”, Sergio A. Moya, Mauricio Yañez-S, Catalina Pérez, Rosa López, César Zuñiga, Gloria Cárdenas-Jirón, Journal of Chilean Chemical Society, 61 (2016) 3014-3019. 
 
69.- “Tautomerization Mechanism and Spectral Properties of  Porphyrin-Glucose Complexes as Models of Antibacterial Material”, M. Isabel Menéndez, Ramón López, Mauricio Yañez, Gloria Cárdenas-Jirón, Theoretical Chemistry Accounts, 135 (2016) 1-15.
 
68.- "Doping Effects in the Charge Transport of Graphene-Porphyrins", Gloria I. Cárdenas-Jirón, Yanara Figueroa, Narendra Kumar, Jorge M. Seminario,  Journal of Physical Chemistry C , 120 (2016) 2013-2016.

2015

67.- “Understanding the hydrolysis mechanism of ethyl acetate catalyzed by an aqueous molybdocene: A computational chemistry investigation”, Elkin Tílvez, Gloria I. Cárdenas-Jirón, María I. Menéndez,  Ramón López,  Inorganic Chemistry , 54 (2015) 1223-1231.

2014

66.- “Theoretical Assessment of the Photosensitization Mechanisms of Porphyrin-Ruthenium(II) Complexes for the Formation of Reactive Oxygen Species”,  Laura E. Coitiño, Andy Mella, Gloria I. Cárdenas-Jirón, Journal of Photochemistry and Photobiology A: Chemistry, 294 (2014) 68-74. 

2013

65.- “Electron Transport Properties through Graphene Oxide-Cobalt Phthalocyanine Complexes”, Gloria I. Cárdenas-Jirón, Paola León-Plata, Diego Cortes-Arriagada, Jorge M. Seminario,  Journal of Physical Chemistry C, 117 (2013) 23664-23675. 
 
64.- “Photosensitization Properties Assessment of  Cationic Porphyrins in Interaction with DNA Nucleotide Pair”,  Gloria I. Cárdenas-Jirón, Luis Cortez,  Journal of Molecular Modeling, special issue dedicated to Politzer Conference, 19 (2013) 2913-2924.
 
63.-  “A Three-Layer ONIOM Model for the Outside Binding of Cationic Porphyrins and Nucleotide Pair DNA”,  Gloria I. Cárdenas-Jirón, Luis Cortez-Santibañez, Journal of Molecular Modeling, 19 (2013) 811-824. 

2012

62.- “Nitric Oxide Oxidation by Substituted Nickel Phthalocyanines: A Theoretical Viewpoint”, Gloria I. Cárdenas-Jirón, Cristhy Gonzalez, Julie Benavides, Journal of Physical Chemistry C, 116 (2012) 16979−16984.

2011

61.- “Theoretical Study on the Electronic Excitations of a Porphyrin-Polypyridyl  Ruthenium(II) Photosensitizer”, Gloria I. Cárdenas-Jirón, Cristina Barboza, Maria Isabel Menéndez, Ramón López,  Journal of Physical Chemistry A, 115 (2011) 11988–11997.
 
60.- “Electrical Characteristics of Cobalt Phthalocyanine Complexes Adsorbed on Graphene”, Gloria I. Cárdenas-Jirón, Paola León-Plata, Diego Cortes-Arriagada, Jorge M. Seminario, Journal of Physical Chemistry C, 115 (2011) 16052-16062. 
               
59.-“A Through Space Charge Transfer Mechanism for Explaining the Oxidation  of 2-Chlorophenol on a Tetrasulphonated Nickel(III) Phthalocyanine”. Diego Cortés-Arriagada, Gloria Cárdenas-Jirón, Computational and Theoretical Chemistry, 963 (2011) 161-167.          
 
58.-“Vibrational spectroscopy and density functional theory calculations of poly-D-mannuronic acid and heteropolymeric fractions from sodium alginate”. Gloria Cárdenas-Jirón, David Leal, Betty Matsuhiro, Igor O. Osorio-Román, Journal of Raman Spectroscopy 42 (2011) 870-878.
 
57.-   “Quantitative Structure Property Relationships To Evaluate the Photosensitizing Capability in Porphyrins and Chlorins”. Gloria I. Cárdenas-Jirón, Mireya Santander-Nelli, Ramón López, Maria Isabel Menéndez, International Journal of Quantum Chemistry, special issue dedicated to Sylvio Canuto11 (2011) 1570-1582.

2010

56.-“Flow-Induced b-Hairpin Folding of the Glycoprotein Iba b-Switch”. Xueqing Zou, Yanxin Liu, Zhongzhou Chen, Gloria Ines Cárdenas-Jirón, Klaus Schulten, Biophysical Journal 99 (2010) 1182-1191.
 
55.-   "A Theoretical Investigation on the Spectroscopic Properties and Photosensitizing Capability of 5, 10, 15, 20-tetraphenylsapphyrin and 5, 10, 15, 20-tetraphenyl-26,28-deheterosapphyrins with two O, S, or Se Atoms". Ramón López, M. Isabel Menéndez, Mireya Santander, Gloria I. Cárdenas-Jirón, Theoretical Chemistry Accounts, 127 (2010) 475-484.
 
54.-"A Computational Study on the Stability-Aromaticity Correlation of Triply N-Confused Porphyrins". Violeta Yeguas, Gloria Inés Cárdenas-Jirón, María Isabel Menéndez, Ramón López,Journal of Mathematical Chemistry, 48 (2010) 137-144.
 
53.-  “Synthesis and Reactivity of h5-tetramethylcyclopentadienyl-propenyl rhenium Complexes: Molecular Structure of [(h5:h2-C5Me4CH2CH=CH2)Re(CO)2]”. Fernando Godoy, Alejandra Gómez, Gloria Cárdenas-Jirón, A. Hugo Klahn, Fernando J. Lahoz, Journal of Organometallic Chemistry, 695 (2010) 346-351.
 
52.-  "Inhibitory Effect of Aromatic Geranyl Derivatives isolated from Heliotropium filifolium on Infectious Pancreatic Necrosis Virus Replication". Brenda Modak, Ana María Sandino, Loredana Arata, Gloria Cárdenas-Jirón,  René Torres, Veterinary Microbiology, 141 (2010) 53-58.

2009

51.-  "Theoretical Study of the Binding Nature of Glassy Carbon with Nickel (II) Phthalocyanines". Luis Cortez, Cristhian Berríos, Mauricio Yañez, Gloria I. Cárdenas-Jirón, Chemical Physics, 365 (2009) 164-169.
 
50.- "Experimental and Theoretical Characterization of Ru(II) Complexes with Polypyridine and Phosphine Ligands". Mauricio Yañez, Juan Guerrero, Pedro Aguirre, Sergio A. Moya, Gloria Cárdenas-Jirón, Journal of Organometallic Chemistry, 694 (2009) 3781-3792.

2008

49.-"A new theoretical insight into pyrrole inversion and planarity in 5,10,15,20-tetraphenylsapphyrin and 5,10,15,20-tetraphenyl-26,28-diheterosapphyrins with two O, S or Se atoms". Gloria I. Cárdenas-Jirón, Carlos Venegas, Ramón López, and Maria Isabel Menéndez, Journal of Physical Chemistry A, 112 (2008) 8100–8106.
 
48.-"Chlorin Structure Effect On the Theoretical Absorption Spectra of Porphyrin Based Photosensitizers", Marcela Palma,Gloria I. Cárdenas-Jirón, Maria Isabel Menéndez Journal of Physical Chemistry A 112 (2008) 13574-13583.
 
47.-Theoretical Evidence of the Ni(III) Participation in The Chlorophenol Oxidation on Tetrasulphonated Nickel Phthalocyanine. Gloria I. Cárdenas-Jirón, Cristhian Berríos, International Journal of Quantum Chemistry, 108 (2008) 2586-2594.

2007

46.-"Molecular Magnetic Properties of Heteroporphyrins: A Theoretical Analysis". Pablo Campomanes, M. Isabel Menéndez, Gloria I. Cárdenas-Jirón, Tomás L. Sordo, Phys. Chem. Chem. Phys.,9 (2007), 5644 - 5648.
 
45.-"Theoretical and Spectroscopy Study of Ni(II)-Porphyrin Derivatives". C. Berrios, G.I. Cárdenas-Jirón, J.F. Marco, C. Gutiérrez, M.S. Ureta-Zañartu, Journal of Physical Chemistry A, 11(2007) 2706-2714.

2006

44.-"Nickel(II) Complexes with Tetraaza Macrocycles in the Electrocatalytic Oxidation of Sulfite". M. Villagrán, J. Costamagna, J.H. Zagal, G. Cárdenas-Jirón, M. Páez,  Journal of Coordination Chemistry, 59 (2006) 1467-1475.
 
43.-"Electrocatalytic Reduction of Carbon Dioxide Induced by Bis-(N-R-2-Hidroxy-1-Naphthaldiminato)-Copper(II) (R=n-Octyl, n-Dodecyl). Magnetic and Theoretical Studies and The X-Ray Structure of Bis-(N-n-Octyl-2-Hidroxy-1-Naphthaldiminato)-Copper(II)". A. Ríos-Escudero, M. Villagrán, F. Caruso, J.P. Muena, E. Spodine, D. Venegas-Yazigi, L. Massa, J. Todaro, J.H. Zagal, G.I. Cárdenas-Jirón, M. Páez, J. Costamagna, Inorganic Chim. Acta, 359 (2006) 3947-3953.
 
42.-"Theoretical Modeling of the Oxidation of Hydrazine by Iron(II) Phthalocyanine in the Gas Phase. Influence of the Metal Character". G.I. Cárdenas-Jirón, V. Paredes-García, D. Venegas-Yazigi, J.H. Zagal, M. Páez, J. Costamagna, Journal of Physical Chemistry A, 110 (2006) 11870-11875.
 
41.- "Influence of 5-chloro and 5-methyl benzotriazole on the corrosion of copper in acid solution: an experimental and a theoretical approach”. A.Arancibia, J.Henriquez-Roman, M.A.Páez, L.Padilla-Campos, J.H. Zagal, J.Costamagna, G. Cárdenas-Jirón, Journal of Solid State Electrochem, 10 (2006) 894-904.

2005

40.- “ The Influence of aniline and its derivatives on the corrosion behaviour of copper in acid solution: A theoretical approach." Jaime H. Henríquez-Román, Luis Padilla-Campos, Maritza A. Páez , José H. Zagal, Juan Costamagna, Gloria I. Cárdenas-Jirón, Maria A. Rubio, Journal of Molecular Structure: (THEOCHEM), 757 (2005) 1-7.
 
39.- “Synthesis of b -Lactams by Ag + -Induced Ring Expansion of 1-Hydroxycyclopropylamines: A Theoretical Analysis”. Pablo Campomanes, M. Isabel Menéndez, Gloria I. Cárdenas-Jirón , Tomás L. Sordo , Journal of Physical Chemistry A, 109 (2005) 7822-7831.
 
38.- “The Coordination Chemistry of Boron Porphyrin Complexes B2OX2 (T p YPP) (X=OH,F;Y=Cl,CH 3 ) and Its Chemical Reactivity”. Gloria I. Cárdenas-Jirón , Francisco Espinoza-Leyton, Tomás L. Sordo, Journal of Chemical Sciences, 117 (2005) 515-524.
 
37.- “Electropreparation and characterization of polyNiTSPc films. An EQCM Study”. M.S. Ureta-Zañartu , A. Alarcón, C. Berrios, G. I. Cárdenas-Jirón, J. Zagal , C. Gutiérrez, Journal of Electroanalytical Chemistry, 580 (2005) 94-104.
 
36.- “Inverted Correlations Between Rate Constants and Redox Potential of the Catalyst for the Electrooxidation of 2-aminoethanethiol Mediated by Surface Confined Substituted Cobalt Phthalocyanines”. Miguel A. Gulppi , Maritza A. Páez, Juan A. Costamagna, Gloria Cárdenas-Jirón , Fethi Bedioui, José H. Zagal, Journal of Electroanalytical Chemistry, 580 (2005) 50-56.
 
35.- “Synthetic N -substituted Metal Aza-Macrocyclic Complexes: Properties and Applications”. G. Ferraudi, J.C. Canales, B. Kharisov, J. Costamagna, J. Zagal, G. Cárdenas-Jirón , M. Páez, Journal of Coordination Chemistry , 58 (2005) 1-21.
 
34.- “Through Space and Through Bond Mixed Charge Transfer Mechanisms on The Hydrazine Oxidation by Cobalt(II) Phthalocyanine in the Gas Phase”. V. Paredes-García, Gloria I. Cárdenas-Jirón , D. Venegas-Yazigi, J. H. Zagal, M. Páez, J. Costamagna, Journal of Physical Chemistry A, 109 (2005) 1196-1204.

2004

33.- `` Fukui Indexes Applied to the Reduced and Non Reduced Species of the Ni(II)Tetraazadinaphto[14]annulene Complex and Its Protonated Derivative``. Angel Ríos-Escudero, Juan Costamagna, Gloria I. Cárdenas-Jirón , Journal of Physical Chemistry A, 108 (2004) 7253-7260.
 
32.- ``Solvent Effect on Density Functional Reactivity Indexes Applied to Substituted Nickel Phthalocyanines``. Claudia A. Caro, José H. Zagal, Fethi Bedioui, Carlo Adamo, Gloria I. Cárdenas-Jirón, Journal of Physical Chemistry A, 108 ( 2004 ) 6045-6051.
 
31.- "Aza Nitrogens Effect on the Electronic Properties of Cobalt Porphyrine and Derivatives". Gloria I. Cárdenas-Jirón , Journal of the Chilean Chemical Society, 49 (2004) 101-104.
 
30.-``Experimental and Theoretical Study of the Activity of Substituted Metallophthalocyanines for Nitrite Electrooxidation`` . Claudia A.Caro, Fethi Bedoui, Maritza A. Paez, Gloria Inés Cárdenas-Jirón, José H. Zagal, Journal of Electrochemistry Society , 151 (2004) E32 - E39 .

2003

29.- ``Application of Condensed Fukui Functions on Cobalt Macrocycle Complexes``. Gloria Inés Cárdenas-Jirón, Eduardo Parra-Villalobos,  Journalof Physical Chemistry A, 107 (2003) 11483–11488.
 
28.-``Theoretical and Experimental Study of the Electronic Structure and Spectra  of Ni(II) Tetraazadinaphto[14]annulene Complexes``. Angel Ríos-Escudero, Guillermina L. Estiú, Juan Costamagna, Gloria I. Cárdenas-Jirón,  Journal of Coordination Chemistry, 56 (2003) 1257-1267.
 
27.-``Theoretical Study of the Electron Transfer Reaction of Hydrazine with Cobalt(II) Phthalocyanine and Substituted Cobalt(II) Phthalocyanines``. Diego Venegas-Yazigi, Gloria I. Cárdenas-Jirón, José H. Zagal, Journal of Coordination Chemistry, 56 (2003) 1269-1275 .
 
26.-``Reactivity Descriptors Applied to the Study of Cobalt Porphyrin and Their Aza-Derivatives''. Gloria I. Cárdenas-Jirón,  International Journal of Quantum Chemistry, 91 (2003) 389-397.

2002

25.-``Theoretical Study of Global and Local Charge Transfer Descriptors Applied to the Interaction of Cobalt Phthalocyanine with 2-Mercaptoethanol and Cobalt Phthalocyanine with Pyridine in the Gas Phase``. Gloria I. Cárdenas-Jirón and Diego A. Venegas-Yazigi, Journal of Physical Chemistry A, 106 (2002) 11938-11944.    
 
24.-``Substituent Effect in the Chemical Reactivity and Selectivity of Substituted Cobalt Phthalocyanines.''  Gloria I. Cárdenas-Jirón,  Journal of Physical Chemistry A, 106 (2002) 3202-3206.    
 
23.-``Theoretical Study of The Interaction Energy Profile of Cobalt Phthalocyanine and 2-Mercaptoethanol. Effect of the Graphite on the Global Reactivity.''  Gloria I. Cárdenas-Jirón, Claudia A. Caro, Diego Venegas-Yazigi and José H. Zagal,  Journal of Molecular Structure (THEOCHEM), 580 (2002) 193-200.

2001

22.-``Reactivity of Electrodes Modified with Substituted Metallophthalocyanines. Correlations with Redox Potentials, Hammett Parameters and Donor Acceptor Intermolecular Hardness.''  Gloria I. Cárdenas-Jirón, Miguel A. Gulppi, Claudia A. Caro, Rodrigo del Río, Maritza Páez and José H. Zagal,  Electrochimica Acta, 46 (2001) 3227-3235.
 
21.-``Donor-Acceptor Intermolecular Hardness On Charge Transfer Reactions Of Substituted Cobalt Phthalocyanines.''  Gloria I. Cárdenas-Jirón, José H. Zagal,  Journal of Electroanalytical Chemistry,  497 (2001) 55-60.

2000

20.-``Reactivity of Inmobilized Cobalt Phthalocyanines for the Electro-Reduction of Molecular Oxygen in Terms of Molecular Hardness.'' José H. Zagal,   Gloria I. Cárdenas-Jirón,  Journal of Electroanalytical Chemistry,  489 (2000) 96-100.
 
19.-``Metal-Centered Redox Chemistry of Substituted Cobalt Phthalocyanine adsorbed on Graphite and Correlations with MO Calculations and Hammett Parameters. Electrocatalytic Reduction of a Disulfide.'' José H. Zagal, Miguel A. Gulppi,  Gloria I. Cárdenas-Jirón,  Polyhedron,   19 (2000) 2255-2260.

1999

18.-``A Theoretical Procedure to Determine Interaction Energies in Complex Systems. Application to the Oxygen-Iron Tetraazaporphyrin Interaction.'' María Jesús Aguirre,  Gloria I. Cárdenas-Jirón, Alejandro Toro-Labbé,  José Zagal,  Journal of Molecular Structure (THEOCHEM),  493 (1999) 219-224.
 
17.-``Paradoxical Effect of the Redox Potential of Adsorbed Metallophthalocyanines on Their Activity for the Oxidation of 2-Mercaptoethanol. Inner versus Outer Sphere Electrocatalysis.'' José H. Zagal, Miguel A. Gulppi, Claudia A. Caro,  Gloria I. Cárdenas-Jirón,   Electrochemistry Communications,  1 (1999) 389-393.
 
16.-``Acetic Acid Molecular Aggregates: Energy and Softness of Hydrogen Bonding''. Gloria I. Cárdenas-Jirón, Fernando Zuloaga,  Journal of Physical Chemistry A,  103 (1999) 8056-8061.
 
15.-``Molecular Orbital Study of Crystalline  p-Benzoquinone.''  Gloria I. Cárdenas-Jirón, Artem Masunov, Joseph J. Dannenberg,  Journal of Physical Chemistry A,  103 (1999) 7042-7046.

1998

14.-``Linear vs. Volcano Correlations Between Electrocatalytic Activity and Redox and Electronic Properties of Metallophthalocyanines.'' José H. Zagal, Miguel Gulppi, Mauricio Isaacs,  Gloria I. Cárdenas-Jirón, María Jesús Aguirre,  Electrochim. Acta,  44 (1998) 1349-1357.
 
13.-``The Internal Rotation of Hydrogen Thioperoxide: Energy, Chemical Potential and Hardness Profiles''.  Gloria I. Cárdenas-Jirón, Jorge Ricardo Letelier, Alejandro Toro-Labbé,  Journal of Physical Chemistry A,  102 (1998) 7864-7871. 
 
12.-``Dynamical and Spectroscopic Study of Internal Rotation in Formic, Thiolformic, Thionformic and Dithioformic Acids into a Reduced Potential Model.'' Y.G. Smeyers, M. Villa,  Gloria I. Cárdenas-Jirón, Alejandro Toro-Labbé,  Journal of Molecular Structure (THEOCHEM),  426 (1998) 155-163.

1997

11.-``Relations between Potential Energy, Electronic Chemical Potential and Hardness Profiles.''  Gloria I. Cárdenas-Jirón, S. Gutiérrez-Oliva, J. Melin,  A. Toro-Labbé,  Journal of Physical Chemistry A,  101 (1997) 4621-4627.
 
10.-``Fragment Chemistry of the Hydrogen Thioperoxide Molecule. Energy, Chemical Potential and Hardness.''  Gloria I. Cárdenas-Jirón, Alejandro Toro-Labbé, Journal of Molecular Structure (THEOCHEM),  390 (1997) 79-89. 

1995

9.-``Hardness Profile and Activation Hardness for Rotational Isomerization Processes. II. The Maximum Hardness Principle.''  Gloria I. Cárdenas-Jirón, Alejandro Toro-Labbé,  Journal of Physical Chemistry,  99 (1995) 12730-12738.
 
8.-``Hardness Profile and Activation Hardness for Rotational Isomerization Processes. I. Application to Nitrous Acid and Hydrogen Persulfide.''  Gloria I. Cárdenas-Jirón, Joaquin Lahsen, Alejandro Toro-Labbé,  Journal of Physical Chemistry,  99 (1995) 5325-5330.

1994

7.-``A Model Potential for the Internal Rotation of Nitrosyl Hyperfluorite. Comparative Analysis of Different Theoretical Methods.''  Gloria I. Cárdenas-Jirón,  Alejandro Toro-Labbé, Chemical Physics Letters,  222 (1994) 8-14.

1993

6.-``Theoretical Analysis of the Internal Rotation, Molecular Structures and Electronic Properties of the XSSX Series of Molecules (X=H,F,Cl).''  Gloria I. Cárdenas-Jirón, Cristián Cárdenas-Lailhacar, Alejandro Toro-Labbé, Journal of Molecular Structure (THEOCHEM),  282 (1993) 113-122.  

1992

5.-``Theory of One-Dimension Rotational Isomerization: A Study of the Cis-Trans Isomerization of HS-NS Compared to That of HO-NO.''  Gloria I. Cárdenas-Jirón, J.R. Letelier, Jean Maruani,  Alejandro Toro-Labbé, Molecular Engineering,  2 (1992) 17-27.
 
4.-``Análisis del Efecto de la Base de Orbitales Sobre el Potencial de Torsión de HO-NO''. G.I. Cárdenas-Jirón, A. Toro-Labbé,  Anales de Química (Madrid), Real Sociedad Española de Química,  88 (1992) 43-48.

1990

3.-``On the Rotational Isomerism of One Rotor Molecules. A Comparative Study of the HSSH and HXNX (X=O,S) Series of Molecules.''  Gloria I. Cárdenas-Jirón, Cristián Cárdenas-Lailhacar, Alejandro Toro-Labbé,   Journal of Molecular Structure (THEOCHEM),  210 (1990) 279-290.

1989

2.- ``A. Potenciales Torsionales en Moléculas con un Rotor: Análisis del Isomerismo Rotacional de la Serie HXNX (X=O,S).'' G.I. Cárdenas-Jirón , A. Toro-Labbé, Folia Chimica Theoretica Latina (FCTL, Madrid), 17 (1989) 177-190.

1988

1.- ``Infrared Assignment and Formation Mechanism of Trans-Anti Thymine Dimer.'' G.I. Cárdenas-Jirón , K.A. Figueroa, V. Vargas,  J.S. Gómez, M.M. Campos-Vallette,  Spectroscopy Letter , 21 (2) (1988) 107-125.