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Alejandro Vásquez Espinal

Profesor Asistente

Universidad Arturo Prat

Iquique, Chile

Theoretical study of nanomaterials; Atomic clusters design; Molecular physical chemistry

Molecular Physical Chemistry, UNIVERSIDAD ANDRES BELLO. Chile, 2016
Chemistry, UNIVERSIDAD DE ANTIOQUIA. Colombia, 2012

Profesor Asistente Full Time

UNIVERSIDAD ARTURO PRAT

Ciencias de la Salud

Iquique, Chile

2022 - A la fecha
Profesor Adjunto Other

UNIVERSIDAD ANDRES BELLO

Ciencias Exactas

Santiago, Chile

2018 - 2022

Joven Investigador

Grupo de Química de Recursos Energéticos y Medio Ambiente (Universidad de Antioquia)

Colombia

2010 - 2011
Research Internship

Universidad Andres Bello

Chile

2011 - 2011
Profesor Ayudante

Universidad Andres Bello

Chile

2012 - 2015
Research Internship

Universidad de Guadalajara

México

2014 - 2014
Lecturer

Universidad Nacional Federico Villarreal

Peru

2015 - 2015
Research Internship

Universität Leipzig

Alemania

2015 - 2016
Profesor Adjunto Other

Universidad Andres Bello

Santiago de Chile, Chile

2018 - 2022
Profesor Asistente Full Time

Universidad Arturo Prat

Iquique, Chile

2022 - A la fecha


Breaking the plane: B<sub>5</sub>H<sub>5</sub> is a three-dimensional structure Tiznado, William; merino, gabriel Article ISI PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2024)
Exploration of Free Energy Surface of the Au<sub>10</sub> Nanocluster at Finite Temperature Rojas-Gonzalez, Francisco Eduardo; Rodriguez-Kessler, Peter Ludwig; Jimenez-Halla, Jose Oscar Carlos; Eithiraj, Rajagopal Dashinamoorthy Article ISI MOLECULES (2024)
Exploring the potential energy surface of B<sub>4</sub>H<sub>4</sub><SUP>2-</SUP>: an exception of the Wade-Mingos rules Article ISI PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2024)
Li<sub>6</sub>E<sub>5</sub>Li<sub>6</sub>: Tetrel Sandwich Complexes with 10-π-Electrons merino, gabriel; Tiznado, William Article ISI ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2024)
Planar tetracoordinate beryllium compounds with a partially covalent Be-Ng bond Article ISI PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2024)
Structures of Ni-doped B<i> n</i> (n=1-13) clusters: A computational study Cabellos-Quiroz, J. L. Article ISI INORGANICA CHIMICA ACTA (2024)
Which fits better?. Centered and non-Centered coordination modes of small endohedral Fullerenes, insights from Ti@C 28 and Zr@C 28 Article ISI INORGANICA CHIMICA ACTA (2024)
BH<sub>4</sub>Ng<SUP>+</SUP> (Ar-Rn): Viable Compounds with a B-Ng Covalent Bond Cerpa, Erick; Tiznado, William; merino, gabriel Article ISI CHEMPHYSCHEM (2023)
Exploration of the potential energy surface in mixed Zintl clusters applying an automatic Johnson polyhedra generator: the case of <i>arachno</i> E<sub>6</sub>M<sub>2</sub><SUP>4-</SUP> (E = Si, Ge, Sn; M = Sb, Bi) Article ISI RSC Advances (2023)
Exploring the viability of noble gas endohedral siladodecahedranes and its perhalogenated derivatives Article ISI JOURNAL OF MOLECULAR STRUCTURE (2023)
Graphene-supported MB36 clusters (M=Fe, Co, Ni) as a single-atom electrocatalyst for the oxygen reduction reaction: A DFT study Vasquez-Espina, Alejandro; Tiznado, William; Orellana, Walter Article ISI ELECTROCHIMICA ACTA (2023)
Planar Elongated B-12 Structure in M3B12 Clusters (M = Cu-Au) Solar-Encinas, Jose; Orellana, Walter; Tiznado, William Article ISI MOLECULES (2023)
Revisiting the potential-energy surface of C<sub><i>n</i></sub>Be<sub>3<i>n</i>+2</sub>H<sub>2<i>n</i>+2</sub><SUP>2+</SUP> (<i>n</i>=2-4) clusters: are planar pentacoordinate carbon structures the global minima? Garcia-Argote, Williams; Tiznado, William Article ISI PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2023)
Searching for Systems with Planar Hexacoordinate Carbons Tiznado, William Article ISI ATOMS (2023)
Si-5-pentagonal rings and Y-shaped Si-4 building blocks in Li32Si18 system: similarities with the crystalline Zintl phase Li12Si7 Garza, Jorge; Orettana, Walter; Tiznado, William Article ISI MOLECULAR SYSTEMS DESIGN ENGINEERING (2023)
Strong carbon - noble gas covalent bond and fluxionality in hypercoordinate compounds Article ISI PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2023)
Structure and stability of Cu-doped Bn (n=1-12) clusters: DFT calculations Article ISI POLYHEDRON (2023)
Unveiling the electronic and structural consequences of removing two electrons from B<sub>12</sub>H<sub>12</sub><SUP>2-</SUP> Zarate, Ximena; merino, gabriel Article ISI DALTON TRANSACTIONS (2023)
Bowl-shaped CuB12- Cluster. A viable Global Minimum with Twofold Aromaticity Barrios-Llacuachaqui, Julio R.; Orellana, Walter; Tiznado, William Article ISI CHEMPHYSCHEM (2022)
E<sub>6</sub>C<sub>15</sub> (E = Si-Pb): polycyclic aromatic compounds with three planar tetracoordinate carbons Tiznado, William Article ISI CHEMICAL COMMUNICATIONS (2022)
Relative Populations and IR Spectra of Cu<sub>38</sub> Cluster at Finite Temperature Based on DFT and Statistical Thermodynamics Calculations Lopez-Luke, Tzarara; Utrilla-Vazquez, Marycarmen; Vazquez-Espinal, Alejandro; de Leon-Flores, Aned; Mis-May, Jhonny Robert Article ISI FRONTIERS IN CHEMISTRY (2022)
Analysis of Local and Global Aromaticity in Si3C5 and Si4C8 Clusters. Aromatic Species Containing Planar Tetracoordinate Carbon Alcoba, Diego R.; Ona, Ofelia B.; Lain, Luis; Torre, Alicia; Tiznado, William Article ISI (2021)
Cluster Assembled Silicon-Lithium Nanostructures: A Nanowire Confined Inside a Carbon Nanotube Orellana, Walter; Peccati, Francesca; Tiznado, William Article ISI FRONTIERS IN CHEMISTRY (2021)
Effects of Temperature on Enantiomerization Energy and Distribution of Isomers in the Chiral Cu<sub>13</sub> Cluster Emiliano Buelna-Garcia, Carlos; Paredes-Sotelo, Edgar; Zamora-Gonzalez, Edgar; Fabiola Martin-del-Campo-Solis, Martha; Manuel Quiroz-Castillo, Jesus; Cortez-Valadez, Manuel; Gaxiola, Tulio; Jesus Castillo, Santos; Luis Cabellos, Jose Article ISI MOLECULES (2021)
Li8Si8, Li10Si9, and Li12Si10: Assemblies of Lithium-Silicon Aromatic Units Manrique-de-la-Cuba, Maria Fernanda; Gomez, Badhin; Garza, Jorge; Tiznado, William Article ISI CHEMPHYSCHEM (2021)
On the NICS limitations to predict local and global current pathways in polycyclic systems Tiznado, William Article ISI NEW JOURNAL OF CHEMISTRY (2021)
Planar Hexacoordinate Carbons: Half Covalent, Half Ionic Leyva-Parra, Luis; Diego, Luz; merino, gabriel; Tiznado, William Article ISI ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2021)
Planar Hypercoordinate Carbons in Alkali Metal Decorated CE32- and CE22- Dianions Pumachagua-Huertas, Rodolfo; merino, gabriel; Tiznado, William Article ISI CHEMISTRY-A EUROPEAN JOURNAL (2021)
Structure-antioxidant activity relationships in boldine and glaucine: a DFT study Osorio, Edison; Areche, Carlos; Ruiz, Lina M.; Cassels, Bruce K.; Tiznado, William Article ISI NEW JOURNAL OF CHEMISTRY (2021)
Theobroma cacao L. compounds: Theoretical study and molecular modeling as inhibitors of main SARS-CoV-2 protease Areche, Carlos; Sandoval-Aldana, Angelica; Gonzalez-Nilo, Fernando; Matos, Maria Joao; Osorio, Edison; Tiznado, William Article ISI BIOMEDICINE AND PHARMACOTHERAPY (2021)
Theoretical Prediction of Structures, Vibrational Circular Dichroism, and Infrared Spectra of Chiral Be<sub>4</sub>B<sub>8</sub> Cluster at Different Temperatures Buelna-Garcia, Carlos Emiliano; Robles-Chaparro, Eduardo; Parra-Arellano, Tristan; Quiroz-Castillo, Jesus Manuel; del-Castillo-Castro, Teresa; Castillo-Quevedo, Cesar; de-Leon-Flores, Aned; Anzueto-Sanchez, Gilberto; Martin-del-Campo-Solis, Martha Fabiola; Mendoza-Wilson, Ana Maria; et al. Article ISI MOLECULES (2021)
Aromatic ouroboroi: heterocycles involving a sigma-donor-acceptor bond and 4n+2 pi-electrons Donald, K. J. Article ISI SCOPUS PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)
Chitosan/P3HT biohybrid films as polymer matrices for the in-situ synthesis of CdSe quantum dots. Experimental and theoretical studies Article ISI SCOPUS JOURNAL OF APPLIED POLYMER SCIENCE (2020)
Embedding a Planar Hypercoordinate Carbon Atom into a [4n+2] ?-System Article ISI SCOPUS ChemPhysChem (2020)
Evaluation of restricted probabilistic cellular automata on the exploration of the potential energy surface of Be6B11- Usuga-Acevedo B.; Tabilo-Sepulveda M. Article ISI SCOPUS THEORETICAL CHEMISTRY ACCOUNTS (2020)
Relativistic effects on the aromaticity of E3M3H3 (E = C-Pb; M = N-Bi) benzene analogues Tiznado, William Article ISI PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)
Searching for double sigma- and pi-aromaticity in borazine derivatives Tiznado, William Article ISI RSC Advances (2020)
Carbon rings decorated with group 14 elements: new aromatic clusters containing planar tetracoordinate carbon Baez-Grez, Rodrigo; Osorio, Edison; Ruiz, Lina; Tiznado, William Article ISI SCOPUS NEW JOURNAL OF CHEMISTRY (2019)
Aromaticity of [M3(mu-X)3X6]0/2– (M = Re and Tc, X = Cl, Br, I) Clusters Confirmed by Ring Current Analysis and Induced Magnetic Field Rabanal-León, Walter; Vásquez-Espinal, Alejandro; Yañez, Osvaldo; Pino-Rios, Ricardo; Arratia-Pérez, Ramiro; Alvarez-Thon, Luis; Torres-Vega, Juan Jose; Tiznado, William Article EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2018)
E M (E=C-Pb, M=Li-Cs)=> A Source of Viable Star-Shaped Clusters. Vásquez-Espinal, Alejandro; Palacio-Rodríguez, Karen; Ravell, Estefanía; Orozco-Ic, Mesías; Barroso, Jorge; Pan, Sudip; Tiznado, William; Merino, Gabriel Article Chemistry, an Asian journal (2018)
A Fukui function-guided genetic algorithm. Assessment on structural prediction of Si n ( n ?=?12-20) clusters Yañez, Osvaldo; Vásquez-Espinal, Alejandro; Inostroza, Diego; Ruiz, Lina; Pino-Rios, Ricardo; Tiznado, William Article Journal of Computational Chemistry (2017)
Exploiting electronic strategies to stabilize a planar tetracoordinate carbon in cyclic aromatic hydrocarbons Pino-Rios, R Article ISI SCOPUS Chemical Communications (2017)
Testing the effectiveness of the isoelectronic substitution principle through the transformation of aromatic osmathiophene derivatives into their inorganic analogues Vásquez-Espinal, Alejandro; Poater, Jordi; Solà, Miquel; Tiznado, William; Islas, Rafael Article New Journal of Chemistry (2017)
Boron avoids cycloalkane-like structures in the LinBnH2n series Torres-Vega, J. J.; Fuentealba P.; Islas, R; Tiznado, W Article ISI SCOPUS NEW JOURNAL OF CHEMISTRY (2016)
Boron avoids cycloalkane-like structures in the LinBnH2n series Vásquez-Espinal, A; Torres-Vega, J. J; Alvarez-Thon, L; Fuentealba, P; Islas, R; Tiznado, W Article NEW JOURNAL OF CHEMISTRY (2016)
Boron avoids cycloalkane-like structures in the LinBnH2n series Vásquez-Espinal A., Torres-Vega J.J.; Alvarez-Thon L., Fuentealba P.; Islas R., Tiznado W. Article New Journal of Chemistry (2016)
Insights into the hydrogen dissociation mechanism on lithium edge-decorated carbon rings and graphene nanoribbon Vásquez-Espinal, Alejandro; Pino-Rios, Ricardo; Fuentealba, Patricio; Orellana, Walter; Tiznado, William Article INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2016)
Insights into the hydrogen dissociation mechanism on lithium edge-decorated carbon rings and graphene nanoribbon Vásquez-Espinal, A; Pino-Rios, R; Fuentealba, P; Orellana, W; Tiznado, W Article INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2016)
Isoelectronic substitution from Si-5(2-) to Al5H52-: Exploration of the series Si5-n(AlH)(n)(2-) (n=0-5) Fuenzalida-Valdivia, I; Beltran, MJ; Ferraro, F; Vasquez-Espinal, A; Tiznado, W; Osorio, E Article CHEMICAL PHYSICS LETTERS (2016)
Isoelectronic substitution from Si-5(2-) to Al5H52-=> Exploration of the series Si5-n(AlH)(n)(2-) (n=0-5) Fuenzalida-Valdivia, I; Beltran, MJ; Ferraro, F; Vasquez-Espinal, A; Tiznado W., Osorio E. Article CHEMICAL PHYSICS LETTERS (2016)
Chemical bonding analysis in boron clusters by means of localized orbitals according to the electron localization function topology Ona O.B.; Torres-Vega J.J.; Torre A.; Lain L.; Alcoba D.R.; Vasquez-Espinal, A; Tiznado, W Article THEORETICAL CHEMISTRY ACCOUNTS (2015)
Chemical bonding analysis in boron clusters by means of localized orbitals according to the electron localization function topology Ona O.B., Torres-Vega J.J.; Torre A., Lain L.; Alcoba D.R., Vasquez-Espinal; A, Tiznado W. Article Theoretical Chemistry Accounts (2015)
Li-7(BH)(5)(+): a new thermodynamically favored star-shaped molecule Torres-Vega, JJ; Vasquez-Espinal, A; Beltran, MJ; Ruiz L.; Islas, R; Tiznado, W Article Physical Chemistry Chemical Physics (2015)
Li7(BH)5(+)=> a new thermodynamically favored star-shaped molecule. Torres-Vega, Juan J; Vásquez-Espinal, Alejandro; Beltran, Maria J; Ruiz, Lina; Islas, Rafael; Tiznado, William Article Physical chemistry chemical physics => PCCP (2015)
New Insights into Re-3(mu-Cl)(3)Cl-6 Aromaticity. Evidence of sigma- and pi-Diatropicity Vasquez-Espinal, A; Pino-Rios, R; Alvarez-Thon, L; Rabana-Leon, WA; Torres-Vega, JJ; Arratia-Perez, R; Tiznado, W Article JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2015)
New Insights into Re-3(mu-Cl)(3)Cl-6 Aromaticity. Evidence of sigma- and pi-Diatropicity Vasquez-Espinal, A; Pino-Rios, R; Alvarez-Thon, L; Rabana-Leon, WA; Torres-Vega, JJ; Arratia-Perez, R Article Journal of Physical Chemistry Letters (2015)
Revisiting Aromaticity and Chemical Bonding of Fluorinated Benzene Derivatives Torres-Vega, JJ; Vasquez-Espinal, A; Ruiz L.; Fernandez-Herrera, MA; Alvarez-Thon, L; Merino, G; Tiznado, W Article CHEMISTRYOPEN (2015)
Revisiting Aromaticity and Chemical Bonding of Fluorinated Benzene Derivatives Torres-Vega, JJ; Vasquez-Espinal, A; Ruiz L., Fernandez-Herrera; MA, Alvarez-Thon; L, Merino G. Article ChemistryOpen (2015)
Minimizing the Risk of Reporting False Aromaticity and Antiaromaticity in Inorganic Heterocycles Following Magnetic Criteria Torres-Vega, Juan J.; Caballero, Julio; Valenzuela, Maria L.; Osorio, Edison; Tiznado, William Article ISI INORGANIC CHEMISTRY (2014)
Minimizing the Risk of Reporting False Aromaticity and Antiaromaticity in Inorganic Heterocycles Following Magnetic Criteria Torres-Vega, J.; Vasquez-Espinal; A.; Caballero, J.; Valenzuela; M.; Alvarez-Thon, L.; Osorio; E.; Tiznado, W. Article INORGANIC CHEMISTRY (2014)
Minimizing the Risk of Reporting False Aromaticity and Antiaromaticity in Inorganic Heterocycles Following Magnetic Criteria Torres-Vega, J.; Vasquez-Espinal, A.; Caballero, J.; Valenzuela, M.; Alvarez-Thon, L.; Osorio, E.; Tiznado, W. Article INORGANIC CHEMISTRY (2014)
Theoretical design of stable small aluminium-magnesium binary clusters Osorio, E; Vasquez, A; Florez E.; Mondragon, F; Donald, KJ; Tiznado, W Article Physical Chemistry Chemical Physics (2013)
Theoretical design of stable small aluminium–magnesium binary clusters Osorio, Edison; Vásquez, Alejandro; Florez, Elizabeth; Mondragón, Fanor; Donald, Kelling J.; Tiznado, William Article PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2013)


Exploring ground and excited state (anti)aromaticity patterns in polycyclic compounds with potential photovoltaic applications Ricardo Pino Rios; Alejandro Vasquez-Espinal Proyecto (2023)
Understanding and expanding the stabilization rules for the design of new systems with planar hypercoordinated elements Alejandro Vasquez-Espinal Proyecto (2022)
EN BÚSQUEDA DE ÁTOMOS HIPERCOORDINADOS PLANOS=> EXPLORACIÓN DE LAS SUPERFICIES DE ENERGÍA POTENCIAL DE CÚMULOS CONACYT (México) (CB-2015-252356) Proyecto 2017-2018 Postdoctorado
ANÁLISIS DE LAS PROPIEDADES QUÍMICAS DE COMPUESTOS DEL GRUPO PRINCIPAL UTILIZANDO MODELOS DE CLUSTERS ATÓMICOS PFCHA (63130043) Proyecto 2013-2016 Tesista
ALMACENAMIENTO DE HIDROGENO EN HIDRURO DE MAGNESIO DOPADO CON MATERIALES CARBONOSOS Programa Jovenes Investigadores. Universidad de Antioquia (Colombia) (Programa Jovenes Investigadores) Proyecto 2010-2011 Coinvestigador(a)